Time stamp: Sun Jul 12 17:28:18 2020 HoF Errors: < 2 kcal/mol   < 5 kcal/mol   < 10 kcal/mol   < 20 kcal/mol   < 50 kcal/mol.   Geometries: 0: good, 100: bad

Comparison of Structures of 1500 Hydrogen-containing Solids predicted using PM7 and PM6-D3H4 with X-Ray

(All solids - Periodic Table - Home - Accuracy - Manual)

Average unsigned error in PM7 HoF: 10.08 kcal/mol, for 144 solids
Average unsigned error in PM6-D3H4 HoF: 27.82 kcal/mol, for 142 solids

     #     GUI   Heat of formation (Kcal/formula unit) Geometry        Species
                    Ref.        PM7     PM6-D3H4      PM7 PM6-D3H4 
     5  (JSmol)   -45.6       -34.1      -38.4       41.1   71.0   Lithium borohydride (XIHFAW)
    11  (JSmol)               -17.2       -4.4        5.6    7.5   Tetradeuteromethane (ZZZWEQ14)
    14  (JSmol)               -30.7      -14.6       25.1   36.1   VII Propane (JAYDUI)
    15  (JSmol)               -45.4      -18.3       32.0   24.0   Neopentane (ZZWGY01)
    16  (JSmol)               -44.7      -26.1       28.8   20.3   n-Pentane (PENTAN01)
    17  (JSmol)                15.6       15.2        7.5   10.5   Benzene (BENZEN)
    18  (JSmol)               -37.2      -27.1       18.6   16.3   Cyclohexane (CYCHEX)
    19  (JSmol)    18.8        23.5       24.6       26.3    1.1   Naphthalene (NAPHTA32)
    20  (JSmol)   -46.0       -42.3      -38.6       19.4   22.7   Adamantane (ADAMAN08)
    21  (JSmol)    23.5        27.4       30.5       21.5   13.4   Biphenyl (BIPHEN04)
    22  (JSmol)   -38.8       -46.7       -6.4       23.2   23.4   Hexamethylbenzene (HMBENZ04)
    23  (JSmol)    21.6        26.4       26.9       25.4   10.3   Fluorene (FLUREN02)
    24  (JSmol)    30.0        35.5       40.7       29.1   44.8   Anthracene (ANTCEN14)
    25  (JSmol)                31.8       34.3       23.2   27.6   Phenanthrene (121) (PHENAN08)
    26  (JSmol)                29.6       33.1       51.9   17.7   Phenanthrene (221) (PHENAN08)
    27  (JSmol)                28.4       30.3       21.3   14.1   Phenanthrene (222) (PHENAN08)
    28  (JSmol)                28.3       29.9       21.9   15.8   Phenanthrene (232) (PHENAN08)
    29  (JSmol)    26.2        31.5       35.2       32.7   17.5   Phenanthrene (PHENAN08)
    30  (JSmol)    15.9        14.2       17.8       27.4   16.8   9,10-Dihydroanthracene (DITBOX)
    31  (JSmol)    31.8        30.8       34.9       14.2    4.6   trans-Stilbene (TSTILB03)
    32  (JSmol)   -57.8       -49.8      -49.0       21.0   23.3   Diadamantane (CONGRS)
    33  (JSmol)   -88.9       -88.5      -60.9       21.5   20.0   Cyclotetradecane (CYTDEC)
    34  (JSmol)               114.3      112.4       18.2   10.7   Azuleno-azulene (COLDEM)
    35  (JSmol)    45.5        51.0       49.3       18.9   46.5   Fluoranthene (FLUANT02)
    36  (JSmol)    29.9        35.4       38.0       28.9    5.2   Pyrene (PYRENE02)
    37  (JSmol)    44.1        41.5       45.9       15.8   14.3   Benzo[c]phenanthrene (BZPHAN01)
    38  (JSmol)    34.7        39.1       41.7       25.5    4.2   Chrysene (CRYSEN01)
    39  (JSmol)    49.4        46.4       45.7       21.2   16.6   Tetracene (TETCEN01)
    40  (JSmol)    35.9        37.6       41.9       19.2   12.9   Triphenylene (TRIPHE12)
    41  (JSmol)    42.7        49.7       53.8       23.1   14.5   Dibenzanthracene (SANQII)
    42  (JSmol)                61.4       59.7       16.8   12.0   Pentacene (PENCEN02)
    43  (JSmol)    36.4        46.0       47.8       24.8    8.0   Coronene (CORONE)
    44  (JSmol)    90.6        75.9       77.7       13.9   10.7   Dibenzo(g,p)chrysene (TEBNAP)
    45  (JSmol)                75.6       74.3       27.0    8.6   Hexahelicene (HEXHEL)
    46  (JSmol)    73.2        63.9       60.5       16.1   13.0   Anthracene photodimer (DPANTH03)
    48  (JSmol)   -42.9       -17.2      -74.0       27.6   17.8   Lithium amide (LiNH2) (ICSD 51679)
    50  (JSmol)               -47.8      -34.4       10.2   42.4   BH3NH3
    51  (JSmol)                -9.6       -4.4       21.5   21.2   Piperazine
    52  (JSmol)                -1.5       -1.1       23.1   20.3   Triethylenediamine (TETDAM)
    53  (JSmol)                 4.3        7.8       24.9   25.1   XI Azetidine (XATMOV)
    54  (JSmol)   -34.1       -44.6      -25.6       18.9   22.0   (Trimethylamine)-borane (ZZZVPE02)
    55  (JSmol)   -67.9       -74.3      -44.5       31.4   25.9   Aminetrimethylborane (RIJHIB)
    56  (JSmol)                17.5       19.1       23.3   13.4   Pyridine (PYRDNA03)
    57  (JSmol)               -11.2       -1.1       21.3   28.9   m-Toluidine (FANDOO)
    58  (JSmol)                -6.6        6.3       23.8   19.5   N N'-(6 6'-dimethylbiphenyl-2 2'-diyl)bis(methylamine) (ENIWIH)
    60  (JSmol)                 7.3       13.4       23.6   21.2   m-Aminopyridine (AMIPYR)
    61  (JSmol)                -1.2        7.2       23.6   14.4   o-Aminopyridine (AMPYRD)
    62  (JSmol)                -0.2        6.8       22.3   15.4   p-Aminopyridine (AMPYRE)
    63  (JSmol)               -11.0        1.3       21.1   13.1   o-Diaminobenzene (BAGFIY)
    64  (JSmol)               -11.4       -1.0       23.5   17.6   p-Diaminobenzene (PENDAM)
    65  (JSmol)                 6.6       18.9       27.0   20.9   4-Dimethylaminopyridine (BUKJOG10)
    66  (JSmol)                40.3       42.3       15.7   12.9   4,4'-Bipyridine
    67  (JSmol)                25.1       30.6       28.8   19.6   1,2-bis(4-Pyridyl)ethane (ZEXKIW)
    68  (JSmol)                -4.4       10.4       14.1   20.2   2-Amino-4-methylpyrimidine (XAQNUZ)
    69  (JSmol)                25.4       34.5       25.3   21.8   Diphenylguanidine
    70  (JSmol)                47.8       53.8       27.6   14.6   Triphenylguanidine
    71  (JSmol)               -16.5       27.7       17.4   27.3   1,2,3-Triaminoguanidine (FASGUB)
    72  (JSmol)   -15.8       -43.4       -3.5       17.8   16.3   Melamine (MELAMI07)
    73  (JSmol)               -67.0      -42.3       19.2    4.8   Ice-10
    74  (JSmol)   -69.7       -78.4      -64.5       15.8   25.4   Ice-11
    75  (JSmol)               -76.5      -65.4       21.7   28.3   Ice-12
    76  (JSmol)               -75.2      -65.2       15.2   28.5   Ice-13
    77  (JSmol)               -75.0      -65.0       22.1   26.2   Ice-14
    78  (JSmol)               -77.4      -65.1       20.9   22.6   Ice-2
    79  (JSmol)               -73.4      -63.4       12.4   23.2   Ice-3
    80  (JSmol)               -74.6      -64.8       18.6   30.1   Ice-5
    81  (JSmol)               -77.1      -65.5       31.9   26.9   Ice-6
    82  (JSmol)               -78.2      -63.9       41.8   41.6   Ice-7
    83  (JSmol)               -79.1      -65.2       11.8   14.3   Ice-8
    84  (JSmol)   -69.7       -78.9      -64.9       15.4   22.5   ice-Ih
    85  (JSmol)  -115.9      -100.7     -106.2       15.3   16.3   Lithium hydroxide (LiOH) (ICSD 27543)
    88  (JSmol)               -46.8      -48.2       17.3   22.9   1,4-Dioxane
    89  (JSmol)               -26.9      -25.2       22.2   31.7   XII Acrolein
    90  (JSmol)                20.8       14.4       10.9   10.0   I (XULDUD01)
    91  (JSmol)               -93.1      -78.6       24.6   23.2   Dodecanoic acid (LAURAC05)
    92  (JSmol)               -36.6      -31.0       13.1   17.9   Acetophenone (ACETPH)
    93  (JSmol)                15.8       11.3       14.4    9.4   1,3-bis(2-Furyl)azulene (GUDKAS)
    94  (JSmol)   -76.3       -71.4      -57.6        8.2    9.2   Camphor (UGAHUF)
    95  (JSmol)  -161.3      -161.4     -115.3       14.0    8.2   Cholesterol (CHOEST20)
    96  (JSmol)   -39.7       -44.6      -46.4       10.0    8.3   2-Pyridone (PYRIDO04)
    97  (JSmol)               -51.3      -48.5       10.7    2.6   m-Aminophenol (MAMPOL02)
    98  (JSmol)               -44.1      -54.3       11.9   29.5   o-Aminophenol (AMPHOM02)
    99  (JSmol)               -53.0      -59.9       16.5   29.6   p-Aminophenol (AMPHOL01)
   100  (JSmol)   -78.7       -80.7      -74.9        8.4   19.7   Caprolactam (CAPLAC)
   101  (JSmol)   -42.0       -40.6      -31.4       27.7   17.0   NN-Dimethylbenzamide (ODOTOQ)
   102  (JSmol)               -93.5      -76.1       42.7    6.7   Urea (UREAXX13)
   103  (JSmol)   -79.5       -77.6      -68.7       22.8   28.2   N-Methylurea (MEUREA)
   104  (JSmol)   -74.6       -73.2      -61.5       11.9   17.1   (Z Z)-N N'-Dimethylurea (NIJHUJ)
   105  (JSmol)   -75.3       -79.2      -63.1       18.5   19.9   NN-Dimethylurea (WIFKEB)
   106  (JSmol)               -38.8      -33.8       16.0   17.5   Caffeine
   107  (JSmol)               -68.3      -45.4       25.9   32.8   Tetramethylurea (TIDBIR)
   108  (JSmol)                28.1       28.5       20.6   12.5   XVI 2-Diazo-3,5-cyclohexadiene-1-one
   109  (JSmol)               -42.2      -36.4       16.8   13.6   Isonicotinamide (EHOWIH)
   110  (JSmol)   -32.2       -41.2      -33.9       11.8   11.8   Nicotinamide (NICOAM01)
   111  (JSmol)               -45.7      -43.1       14.8   16.3   1,3-bis((Pyrid-2-ylamino)carbonyl)adamantane (RIZVOL)
   112  (JSmol)               -76.3      -52.1       21.9   15.4   Lidocaine
   113  (JSmol)               -13.2      -10.8       19.2   16.8   Carbamazepine (CBMZPN01)
   114  (JSmol)               -43.5      -36.5        9.0   13.6   8-Azaguanine hydrate (AZGUAN)
   115  (JSmol)               -63.0      -53.7       11.3   11.7   Cytosine
   116  (JSmol)               -88.0      -41.3       19.8   16.8   Aqua-tris(2-((dimethylamino)methyl)phenyl)borane (QEVYEV)
   117  (JSmol)                13.0       14.7       16.3   16.0   Nevirapine
   118  (JSmol)                 9.5       34.5       21.8   23.4   4-(2,6-Dimethyl-4-N,N-diethylaminophenylimino)-3-methyl-1-phenyl-2-pyrazolin-5-one (MEPMPZ10)
   119  (JSmol)   -44.0       -43.9      -34.0        9.1   15.6   Guanine
   120  (JSmol)               -21.0      -11.8       11.3   12.5   9-(2-Hydroxyethyl)adenine (FABFUJ)
   121  (JSmol)                -9.6       -0.5       10.1   15.2   8-Azaguanine (AZGUAN01)
   123  (JSmol)              -170.7     -173.8       22.0   18.3   Lithium hydroxide hydrate (LiOH (H2O))
   124  (JSmol)  -216.5      -227.8     -201.7       25.7   21.6   Beryllium hydroxide (Be(OH)2) (ICSD 50445)
   125  (JSmol)  -216.5      -225.0     -199.1       30.7   24.6   Clinobehoite (Be(OH)2)
   126  (JSmol)  -191.9      -189.3     -188.6       16.7   16.2   Metaboric acid (HBO2) (ICSD 280303)
   127  (JSmol)  -191.9      -197.4     -196.7        6.2    4.2   Metaboric acid (cubic) (HBO2) (ICSD 280304)
   130  (JSmol)              -105.8     -108.4       23.3   37.4   Octahydroxycyclobutane (HOCBUT)
   131  (JSmol)              -111.3     -105.9       29.9   33.1   Acetylacetone (LIWPIQ01)
   132  (JSmol)   -88.6       -94.7      -93.5       17.8   12.7   Resorcinol (RESORA03)
   133  (JSmol)   -88.6       -94.8      -93.2       13.2   10.9   alpha Resorcinol
   134  (JSmol)   -88.6       -94.9      -94.0       19.3   23.9   beta Resorcinol
   135  (JSmol)   -92.0       -89.8      -89.6       20.9   17.9   Benzoic acid (BENZAC02)
   136  (JSmol)   -99.6       -99.7      -96.1       20.7   20.7   2-Methylbenzoic acid (OTOLIC02)
   137  (JSmol)               -70.9      -63.2       13.7   14.5   o-Dimethoxybenzene (TUKGEL)
   138  (JSmol)   -77.8       -79.8      -77.7       41.9   17.7   Cinnamic acid (CINMAC06)
   139  (JSmol)               -61.8      -57.8       20.6   22.3   Phenylmalondialdehyde (PROLON)
   140  (JSmol)               -67.3      -69.7       17.2   11.4   Phenolphthalein (NIMDAO)
   141  (JSmol)               -83.3      -80.3       20.7   11.7   4,4'-Biphenol (DOHDPH02)
   142  (JSmol)              -207.9     -162.1        8.9   10.2   Cholesteryl acetate (CHOLAD04)
   143  (JSmol)  -126.3      -133.9     -154.8       11.9   15.5   alpha Glycine
   144  (JSmol)  -126.3      -135.0     -152.8       22.0    8.8   beta Glycine
   145  (JSmol)  -126.3      -130.2     -147.1       13.4   15.4   gamma Glycine
   146  (JSmol)  -134.0      -133.6     -144.6        7.3   13.5   L-Alanine
   147  (JSmol)  -130.8      -136.5     -151.4       22.6   23.8   beta-Alanine (BALNIN01)
   148  (JSmol)              -145.3     -155.9       22.5   24.9   Lysine acetate (CETSOJ)
   149  (JSmol)              -127.2     -138.6       21.1   17.8   L-proline
   150  (JSmol)               -75.1      -77.2       44.0   40.8   XIX 1,8-Naphthyridinium fumarate
   151  (JSmol)  -152.3      -154.6     -157.8       25.3   25.2   Leucine (LEUCIN02)
   152  (JSmol)              -150.6     -158.6       14.0   28.4   epsilon-Amino-n-caproic acid (AMCAPR10)
   153  (JSmol)              -104.4      -99.3       19.9   17.1   2-Hydroxybenzamide (Salicylamide)
   154  (JSmol)   -98.0      -100.4      -97.2       13.4    8.4   4-Aminobenzoic acid (AMBNAC04)
   155  (JSmol)               -48.5      -46.1       23.8   23.6   Salicylaldoxime (SALOXM)
   156  (JSmol)   -95.9      -102.9     -107.8       12.2   17.3   o-Amino benzoic acid (AMBACO07)
   157  (JSmol)              -127.6     -140.7       25.0   20.4   Ammonium benzoate (YABFEO)
   158  (JSmol)              -112.1     -127.1       12.6   16.1   4-Aminophenylacetic acid (FONGUL)
   159  (JSmol)              -125.6     -124.2       15.0   19.9   IV (BOQQUT01)
   160  (JSmol)                -0.7       -6.0       10.4   21.5   1,3,5-Trinitro-1,3,5-triazacyclohexane (CTMTNA03)
   161  (JSmol)              -109.0     -107.8       17.9   20.9   VIII Hydantoin (PAHYON01)
   162  (JSmol)  -101.4      -109.2     -111.2       12.2   16.8   Uracil (URACIL)
   163  (JSmol)  -110.6      -118.1     -111.7       18.9   23.7   Thymine (THYMIN01)
   164  (JSmol)   -10.9       -19.7      -21.2       30.8   20.1   4-Nitroaniline (NANILI22)
   165  (JSmol)               -15.6       -1.7       27.7   17.0   N N-2 6-Tetramethyl-4-nitroaniline (FOCVOI)
   166  (JSmol)               -87.6      -80.8       19.1   19.2   4,5-bis(Dimethylamino)-1,8-dihydroxynaphthalene (RISBIE)
   167  (JSmol)               -95.4      -83.6       16.6   12.2   Hydroquinone bis(aniline) (HIBFUT)
   168  (JSmol)              -132.5     -119.2        6.3   16.3   Cytosine (CYTOSM03)
   169  (JSmol)              -107.9      -87.9       19.1   17.0   XV 2-amino-4-methylpyrimidine and 2-methylbenzoic acid
   170  (JSmol)               -79.6      -69.6       19.0   23.3   Theophylline
   171  (JSmol)               -54.9      -48.1       20.2   14.5   Carbamazepine isonicotinamide (LOFKIB01)
   172  (JSmol)  -261.5      -256.0     -254.0       13.6   17.3   Orthoboric acid
   175  (JSmol)  -161.6      -168.7     -166.7       19.3   21.8   Lactic Acid (YILLAG)
   176  (JSmol)              -173.7     -173.7       18.8   19.5   Glycerol (GLCROL)
   177  (JSmol)  -112.4       -99.5     -103.2       23.2   19.5   Maleic anhydride (MLEICA01)
   178  (JSmol)  -139.7      -150.9     -149.5       24.8   16.6   Phloroglucinol (PHGLOL)
   179  (JSmol)              -145.1     -142.9       16.1    8.7   Salicylic acid (SALIAC03)
   180  (JSmol)  -141.1      -138.7     -137.6       25.5   13.4   m-Hydroxybenzoic acid (BIDLOP01)
   181  (JSmol)  -141.1      -141.5     -142.0       19.6   15.9   m-hydroxybenzoic acid (BIDLOP)
   182  (JSmol)              -144.7     -145.2       21.2   28.9   p-Hydroxybenzoic acid (JOZZIH)
   183  (JSmol)              -112.3     -110.9       24.0   22.2   Benzoylacrylic crystal structure
   184  (JSmol)              -136.3     -134.5       20.3   19.8   3-Hydroxy-10,10-dimethyl-11-oxatricyclododeca-4,6-dien-8-one (LIGHIV)
   185  (JSmol)              -155.0     -131.1       26.5   21.2   4-(2,4-diisopropylphenyl)-4-oxo-2-butenoic acid
   187  (JSmol)  -203.0      -215.8     -236.1       18.2   22.0   NH4HCO3
   188  (JSmol)              -186.3     -182.6        8.2   14.0   N-Acetyl-L-leucine -NH-COH- (ACLLEU)
   189  (JSmol)              -166.8     -161.5       13.6   22.0   N-Acetyl-L-leucine -NH2-CO- (ACLLEU)
   190  (JSmol)              -156.6     -153.0        9.5    6.5   4-Acetamidobenzoic acid
   191  (JSmol)  -163.9      -172.4     -184.3       22.7   17.8   Tyrosine (LTYROS10)
   192  (JSmol)              -178.6     -159.2       22.6   21.8   Tetramethylammonium benzoate monohydrate (ISIHIB)
   193  (JSmol)   -87.4      -105.4     -143.4       13.9   29.0   Ammonium nitrate (NH4NO3)
   194  (JSmol)               -54.4      -55.4       22.6   25.1   3-Nitrobenzamide (JACYOB)
   195  (JSmol)              -146.9     -108.1       22.1   28.2   m-Cresol N,N,N',N'-tetraisopropyloxamide (DUGRIG)
   196  (JSmol)  -168.2      -172.2     -164.3       11.0   15.4   Cyanuric acid (CYURAC12)
   197  (JSmol)              -121.4     -129.8       17.3   12.0   5-Nitrouracilate L-histidinium
   198  (JSmol)               -26.2      -24.4       24.1   15.0   s-Trinitrobenzene-s-triaminobenzene (NIBZAM)
   199  (JSmol)              -159.3     -152.0       15.2   15.0   5-Formato uracil (POWBAF)
   200  (JSmol)              -118.0     -106.1       13.9   18.1   2-(2-(3-Carboxypyridyl))-4-isopropyl-4-methyl-5-oxo-imidazole (JAZCOC01)
   201  (JSmol)  -147.9      -145.1     -148.9        9.9   15.3   Uric acid (URICAC)
   202  (JSmol)              -168.1     -148.7       22.0   15.0   Theophylline urea
   203  (JSmol)              -124.7     -108.1       14.0   12.4   Theophylline isonicotinamide
   204  (JSmol)              -212.7     -174.3        8.9   12.0   Cyanuric acid-Melamine (QACSUI)
   205  (JSmol)  -198.1      -196.3     -190.9       24.8   18.4   Oxalic acid (OXALAC06)
   206  (JSmol)              -319.3     -299.0       24.0   23.1   Lithium acetate (Li(CH3COO) 2(H2O))
   207  (JSmol)              -217.0     -219.9       18.6   31.3   Malonic acid (MALNAC02)
   208  (JSmol)  -193.6      -195.5     -195.3       24.9   12.1   Fumaric acid (FUMAAC)
   209  (JSmol)              -187.0     -187.2       19.1   25.8   Maleic acid (MALIAC11)
   210  (JSmol)  -189.0      -183.8     -186.9       15.8   16.1   Maleic acid (MALIAC13)
   211  (JSmol)              -228.7     -229.0       25.5   21.4   Succinic acid (SUCACB11)
   212  (JSmol)              -235.0     -234.6       22.4   20.2   Glutaric acid
   213  (JSmol)  -186.9      -186.5     -187.4       11.2   15.1   Phthalic acid (PHTHAC01)
   214  (JSmol)              -193.5     -195.0       23.7   28.2   Terephthalic acid (TEPHTH13)
   215  (JSmol)              -184.4     -181.5       21.1   18.2   Aspirin(I) ACSALA01
   216  (JSmol)              -184.2     -182.0       20.9   20.1   Aspirin(II) (ACSALA13)
   217  (JSmol)               -82.1      -90.0       25.0   18.0   6-(Pyran-4-one-2-yl)-1,4-dioxocine (CUWWEW)
   218  (JSmol)              -122.0     -117.6       21.8   20.5   1 4-Dimethoxyanthracene-9 10-dione (VICZAJ)
   219  (JSmol)              -123.0     -118.6       16.2   13.9   1 8-Bis(methoxy)anthraquinone (APUREI01)
   220  (JSmol)              -159.2     -154.9       22.8   19.2   Molecular anvil (RATPEH)
   221  (JSmol)              -198.2     -186.8       16.2   23.5   III (QAMTAZ)
   222  (JSmol)              -125.7     -134.6       29.4   31.4   Oxonium nitrate (H3O NO3) (ICSD 1900)
   223  (JSmol)  -232.6      -238.2     -255.8       19.4   21.8   Aspartic acid (LASPRT)
   224  (JSmol)              -180.3     -179.5       17.3   10.7   Dinicotinic acid (DINICA10)
   225  (JSmol)              -211.7     -211.3       11.4   15.9   Ammonium hydrogen benzoate (AMHBZO)
   226  (JSmol)              -185.0     -182.9       17.7   19.3   4-(Dimethylamino)pyridinium hydrogen maleate (GUKVUE)
   227  (JSmol)              -234.3     -241.0       19.7   23.0   1-diazonia-4-azabicyclo[2.2.2]octane glutarate (UNEFIC)
   228  (JSmol)              -188.7     -186.0       16.9   15.0   4-Hydroxybenzoic acid isonicotinamide (VAKTOR)
   229  (JSmol)              -185.8     -179.3       14.4   12.9   Isonicotinamide 3-hydroxybenzoic acid (LUNMEM)
   230  (JSmol)              -158.4     -157.4       25.4   24.0   bis(Pyridine) fumaric acid (GUKWOZ)
   231  (JSmol)              -178.8     -174.5       21.4   23.3   4-(Dimethylamino)pyridinium hydrogen phthalate (GUKVOY)
   232  (JSmol)              -249.7     -228.3       20.7   38.0   1,4-diazabicyclo[2.2.2]octane azelaic acid (UNEGEZ)
   233  (JSmol)              -264.0     -250.7       22.0   19.4   Resorcinol bis(caprolactam) (QQQGHM01)
   234  (JSmol)              -259.1     -244.7       24.2   16.7   4,4'-Biphenol bis(caprolactam) (KEWZUI)
   235  (JSmol)              -139.5     -139.3       15.5   12.6   Urea nitrate (UREANT02)
   236  (JSmol)              -119.1     -119.4       17.3   16.0   5-Nitrouracil
   237  (JSmol)              -244.3     -258.2       15.3   13.2   L-Histidinium acetate (POPGIK)
   238  (JSmol)              -123.7     -119.0       19.9   13.9   4-Aminobenzoic acid 4-nitroaniline (RILJEB)
   239  (JSmol)              -105.8     -112.1       14.3   17.5   Creatininium nitrate (FETNUO)
   240  (JSmol)              -214.5     -210.4        7.5   25.6   Uric acid monohydrate (GEJQAO)
   241  (JSmol)              -173.4     -167.3       20.0   15.1   bis(Caffeine) oxalic acid (GANXUP)
   242  (JSmol)              -122.7     -124.2       13.4   13.9   Nevirapine 1,4-dioxane
   243  (JSmol)              -177.0     -166.5       20.1   17.6   bis(4-(Dimethylamino)pyridinium) terephthalate (GUKWAL)
   244  (JSmol)              -129.9     -119.9       10.0    7.4   5-Nitrouracil piperazine
   245  (JSmol)              -163.1     -162.1       18.7    7.9   Adenosine (ADENOS11)
   246  (JSmol)                 6.4        9.4       11.6   11.4   m-Diaminobenzene (REDDEJ)
   247  (JSmol)              -184.6     -172.2       15.0   23.3   Theophylline 4-aminobenzoic acid
   248  (JSmol)               -67.8      -68.5       26.1   17.1   5-Nitrouracil triphenylguanidinium
   249  (JSmol)  -245.7      -252.0     -247.7       23.0   17.2   alpha-Ketoglutaric acid (COTPAC)
   250  (JSmol)              -241.5     -250.3       11.6   11.1   Cellulose 1 alpha (ja037055wsi20030711 112804)
   251  (JSmol)              -234.6     -244.9        9.8   11.9   Cellulose 1 beta (ja0257319 s1)
   252  (JSmol)              -239.3     -248.7       19.1   22.2   Alpha-Chitin
   253  (JSmol)              -239.3     -254.9        9.0   14.3   alpha-Chitin (SUSGIW)
   254  (JSmol)              -144.1     -142.6       19.2   18.7   Cinnamic acid 3-nitrobenzamide (OPUSOI)
   255  (JSmol)              -250.8     -250.9       15.9   15.9   2-Hydroxybenzamide 4-acetoamidobenzoic acid
   256  (JSmol)              -195.4     -189.0       11.6   14.3   Aspirin carbamazepine (TAZRAO)
   257  (JSmol)              -198.0     -185.2       22.1   11.4   5-Nitrouracil monohydrate
   258  (JSmol)              -160.0     -161.9       16.0    6.5   5-Nitrouracil dioxane
   259  (JSmol)               -71.2      -66.1       17.0   12.6   X (HAMTIZ01)
   260  (JSmol)              -223.7     -220.2       21.1   24.4   Theophylline salicylic acid
   261  (JSmol)              -178.6     -181.0       13.6   11.9   Nevirapine-maleic acid
   262  (JSmol)              -216.5     -205.8       15.5   30.0   Nevirapine-Glutaric acid
   263  (JSmol)              -116.8     -112.4       16.3   12.4   Nevirapine hemikis(salicylic acid)
   264  (JSmol)              -352.6     -351.2       27.4   46.6   Oxalic acid dihydrate (OXACDH26)
   265  (JSmol)              -315.8     -314.6       27.5   28.3   Tartaric acid (TARTAC)
   266  (JSmol)  -303.8      -320.0     -327.7       19.5   27.4   Glucose (GLUCSA)
   267  (JSmol)              -315.0     -319.6       26.3   29.5   alpha-Lactose monohydrate (LACTOS10)
   268  (JSmol)  -302.5      -315.8     -326.7       27.6   29.8   beta-D-Fructose (FRUCTO11)
   269  (JSmol)              -308.1     -323.3       20.8   43.1   beta-D-Galactose (BDGLOS01)
   270  (JSmol)              -302.2     -299.1       15.7   15.0   XXI form 3 Gallic acid monohydrate
   271  (JSmol)              -313.0     -304.3       22.1   22.9   XXI form 4 Gallic acid monohydrate
   272  (JSmol)  -227.9      -195.8     -198.5       19.4   11.4   Pyromellitic dianhydride (PYMDAN)
   273  (JSmol)              -177.5     -186.6       12.7   11.3   Naphthalene pyromellitic dianhydride (NAPYMA12)
   274  (JSmol)              -476.2     -444.4       99.1   34.3   1,2,3-tris(trans-9-Octadecenoyl)glycerol (WISRAR)
   275  (JSmol)              -287.4     -268.0       40.1   31.9   Nitric acid trihydrate (HNO3 (H2O)3) (ICSD 1902)
   276  (JSmol)              -108.1     -108.0       18.0   29.8   3,5-Dinitro-4-methylbenzoic acid (NOMBEA01)
   277  (JSmol)              -271.2     -271.2       22.7   17.6   4,4'-Bipyridyl-racemic tartaric acid
   278  (JSmol)   -15.1       -17.2      -18.6       20.8   28.2   Trinitrotoluene (ZZZMUC01)
   279  (JSmol)              -384.6     -426.9       22.4   17.1   Lysine aspartate (LYSASP)
   280  (JSmol)              -407.2     -438.0       14.5   17.7   L-Lysine D-glutamate (JAVSII)
   281  (JSmol)               -99.9     -104.8       19.4   17.2   Bis(3,5-Dinitro-4-methylbenzoic acid) 1,2-bis(4-pyridyl)ethane (LAPTUS)
   282  (JSmol)              -388.8     -354.2       26.9   13.4   bis(Urea) oxalic acid (UROXAL01)
   283  (JSmol)              -410.8     -380.1       19.0   21.2   Succinic acid bis(urea) (VEJXAJ)
   284  (JSmol)              -265.8     -261.9       21.5   20.8   Theophylline phthalic acid
   285  (JSmol)              -293.3     -286.8       12.6   19.3   Malonic acid bis(isonicotinamide) (ULAWEJ)
   286  (JSmol)              -262.1     -255.2       17.8   17.1   Theophylline aspirin
   287  (JSmol)              -234.0     -218.7       22.5   15.3   tris(4,4'-Biphenol) bis(2-aminopyridine) (KEXBAR)
   288  (JSmol)    18.9        -2.1      -17.9        8.6   12.6   Cyclotrimethylene-trinitramine (RDX)
   289  (JSmol)              -260.0     -232.6       21.3   15.8   5-Nitrouracilate diphenylguanidinium dihydrate
   290  (JSmol)              -312.0     -271.8       10.9    7.8   Caffeine monohydrate (CAFINE01)
   291  (JSmol)              -409.7     -401.8       24.9   19.1   Dodecahydroxycyclohexane dihydrate (SANTEH)
   292  (JSmol)  -369.0      -376.2     -374.9       23.1   23.6   Citric acid (CITRAC10)
   293  (JSmol)              -362.5     -329.3       15.6   12.9   2-(4-pyridyl)malondialdehyde sesquihydrate (GIDLIP)
   294  (JSmol)   -52.1       -59.3      -62.3       19.0    8.4   Picric acid (PICRAC)
   295  (JSmol)              -490.8     -490.8       21.8   25.2   L-Lysyl-L-glutamic acid dihydrate (VEVGOS)
   296  (JSmol)              -438.6     -461.3       21.2   20.6   L-Histidinium L-aspartate monohydrate (LHLASP01)
   297  (JSmol)              -299.7     -300.7       20.1   12.8   Nevirapine rac-tartaric acid
   298  (JSmol)              -339.7     -334.0       15.6   18.1   1,3-bis((Pyrid-2-ylamino)carbonyl)adamantane a-ketoglutaric acid (RIZWUS)
   299  (JSmol)              -371.0     -370.9       21.4   21.5   Bis(Pyridinium) oxalate oxalic acid (DEFCUM)
   300  (JSmol)              -408.1     -400.9       16.6   16.5   3-Carboxyphenylammonium hydrogen 2,3-pyrazinedicarboxylate dihydrate (ZIKREQ)
   301  (JSmol)              -380.1     -372.9       20.3   20.1   bis(4-(Dimethylamino)pyridinium) fumarate fumaric acid (GUKWIT)
   302  (JSmol)     9.8         3.6        2.1       16.6   18.0   2,4,6-Trinitro-N-methyl-N-nitroaniline (Tetryl) (MTNANL)
   303  (JSmol)              -466.4     -489.0       23.5   18.1   L-histidinium L-histidine hydrogen glutarate (ADAVUW)
   304  (JSmol)              -361.2     -378.1       16.2   15.5   Ammonium nitrate 18-crown-6 (QOBJAS)
   305  (JSmol)               -97.4     -118.0       10.8   15.1   Glycerol trinitrate (CORYIR)
   306  (JSmol)              -610.2     -569.1       16.6   10.9   Tetra-aqua-beryllium 4-oxo-4H-pyran-2,6-dicarboxylate (CICXOC)
   307  (JSmol)  -530.9      -552.1     -576.5       19.0   17.8   Sucrose (SUCROS01)
   308  (JSmol)              -561.4     -585.1       21.7   19.6   beta-Cellobiose (CELLOB04)
   309  (JSmol)              -500.5     -502.0       19.1   13.4   Aconitine (ACONTO10)
   310  (JSmol)               -43.9      -35.2       21.9   14.1   Nevirapine hemihydrate
   311  (JSmol)              -641.2     -642.4       12.7   14.7   beta-Maltose monohydrate (MALTOS11)
   312  (JSmol)              -563.3     -568.2       16.9   15.5   Dipyridinium bis(hydrogen-oxalate) oxalic acid (DUVLUB)
   313  (JSmol)              -658.0     -662.4       95.2   11.7   Valinomycin (CACYEK10)
   314  (JSmol)             -1122.8    -1024.7       22.5   17.5   Basic beryllium acetate (Be4O(OOCCH3)6) (BEOACT)
   315  (JSmol)              -543.9     -549.8       22.8   13.8   Rutin (KESFOD)
   316  (JSmol)             -1153.9    -1140.1       17.5   26.3   Tennis ball (ZIWSON)
   317  (JSmol)               -64.3      -66.0       44.2   44.3   Hydrogen fluoride (HF) (ICSD 1940)
   319  (JSmol)  -110.9       -80.3      -69.7       49.1   58.8   Ammonium fluoride (NH4F)
   320  (JSmol)              -137.3     -137.1       47.8   14.1   p-Fluorobenzoic acid (PFBZAD01)
   325  (JSmol)  -323.6      -320.4     -312.2       21.5   23.8   Ammonia - boron trifluoride (NH3BF3) (ICSD 94885)
   326  (JSmol)              -169.6     -164.8       16.1   20.2   (S)-2,2,2-Trifluoro-1-(9-anthryl)ethanol (SOCLIF)
   328  (JSmol)              -421.6     -387.7       19.4   17.6   Ethylenediammonium orthofluoroberyllate (KIPPEE)
   329  (JSmol)              -163.2        0.0       22.3   43.8   4,4'-Bis(perfluorostyryl)stilbene (QERWUF)
   331  (JSmol)              -233.9     -219.5       24.7   24.4   N,N-Dimethylaniline hexafluorobenzene (DMAFBZ01)
   332  (JSmol)              -793.3     -662.5       34.4   30.5   tris(Guanidinium) pyrofluoroberyllate (SEYHOT)
   335  (JSmol)   -45.9       -68.2       22.1       63.6   89.8   Sodium borohydride (NaBH4) (ICSD 1621293)
   337  (JSmol)               -49.2        7.1       33.8   80.9   Sodium amide (NaNH2) (ICSD 14007)
   339  (JSmol)  -101.8       -91.1      -70.3       17.5   80.0   Sodium hydroxide (NaOH)
   342  (JSmol)              -279.6     -288.4       12.4   16.5   Sodium hydrogen acetate
   343  (JSmol)              -376.9     -356.7       23.8   78.6   Sodium Acetate Trihydrate (NAACET06)
   344  (JSmol)              -321.5     -339.6       16.3   19.0   (15-Crown-5)-(nitrato-O,O')-sodium (JAKCUT)
   345  (JSmol)              -665.3     -661.2       18.6   32.6   Sodium (nitrilotripropionato)-beryllium(ii) trihydrate (YOMHAJ)
   347  (JSmol)  -220.0      -186.1     -184.9       54.0   51.8   Sodium hydrogen fluoride (NaHF2) (ICSD 415006)
   351  (JSmol)              -323.7     -338.5       17.6   47.7   Thermonatrite (Na2CO3(H2O))
   354  (JSmol)              -464.7     -544.5       19.0   50.8   Warfarin (EFIWIZ01)
   356  (JSmol)             -1490.8    -1431.7       16.7   82.1   Borax (Na2B4O7 10(H2O))
   357  (JSmol)              -613.7        -.-       22.7    -.-   Trona (NaHCO3) (Na2CO3) 2(H2O)
   360  (JSmol)               -10.0       -6.1       14.1   14.7   Methyl-(tetramethyl-tetrazacyclotetradecane)-magnesium cyclopentadienide (FIZREM)
   361  (JSmol)               279.1      176.2       22.1   10.7   bis(4-Picoline-N)-tetraphenylporphyrinato-magnesium (CULXEM)
   363  (JSmol)  -221.0      -235.6     -190.2       47.6   15.1   Brucite (Mg(OH)2)
   365  (JSmol)              -309.8     -270.5       26.9   29.5   Diethyl-magnesium 18-crown-6 clathrate (GIMNIZ)
   367  (JSmol)              -633.3     -608.1       27.4   29.6   Lansfordite (MgCO3 5(H2O))
   368  (JSmol)              -921.0     -930.9       24.2   20.6   Hexa-aqua-magnesium dihydrogen ethylenediaminetetra-acetate (AQMEDA)
   370  (JSmol)             -1278.8    -1263.3       20.2   22.5   tris(Hexafluoroacetylacetonato) magnesium 1-dimethylammonium-8-dimethylamino-naphthalene (NAFAMG10)
   372  (JSmol)             -1535.2    -1400.3       24.2   14.8   Hydromagnesite (Mg5(CO3)4(OH)2 4(H2O))
   375  (JSmol)                 1.0      -13.1       16.5   10.4   trans-bis(mu-2-2,2-Dimethylhydrazido)-bis(dimethyl-aluminium) (HIMZAE)
   376  (JSmol)               -70.2      -44.8       32.5   18.4   ((N-Methyl-N-(nitroso-O')-hydroxylamido-O)-dimethyl-aluminium-O')-trimethyl-aluminium (ALMEAL)
   377  (JSmol)              -234.9     -214.3       20.9   12.6   Diaspore (AlO(OH))
   379  (JSmol)              -309.8     -275.7       20.0   10.9   Bayerite (Al(OH)3)
   380  (JSmol)              -307.6     -275.9       27.1   22.0   Gibbsite (Al(OH)3)
   381  (JSmol)              -116.2     -148.7       18.4   16.7   fac-tris(8-Hydroxyquinoline)-aluminium(iii) (WUFVAU01)
   382  (JSmol)              -109.9     -145.4       14.1   14.4   mer-tris(8-Hydroxyquinoline)-aluminium(iii) (QATMON)
   383  (JSmol)              -655.6     -691.8       18.3   20.2   Ammonium aluminum EDTA dihydrate (WUCFIJ)
   387  (JSmol)              -444.5     -472.4       16.0   22.6   Dawsonite ((Na2O)(Al2O3)(CO2)2(H2O)2)
   391  (JSmol)             -1948.5    -1795.5        9.3   10.1   Mellite
   398  (JSmol)               -55.4      -39.4       29.1   31.4   Tetramethylsilane (TIVWOL)
   408  (JSmol)              -935.3     -911.7        9.2   18.9   18-Crown-6 trans-tetrafluoro-diaqua-silicon dihydrate (YORRIG01)
   409  (JSmol)  -640.9      -614.2     -581.2       35.9   31.5   Ammonium hexafluorosilicate (2(NH4)SiF6) (ICSD 1120016)
   411  (JSmol)              -923.4     -890.6       22.5   30.0   Chesnokovite (Na2[SiO2(OH)2] 8(H2O))
   416  (JSmol)              -605.0     -571.6       18.8   17.8   Euclase ((BeO)2(Al2O3)(SiO2)2(H2O))
   421  (JSmol)              -105.8     -100.3       36.3   81.7   Disilyl ether ((SiH3)2O)
   423  (JSmol)             -1096.0     -821.7        6.2   20.0   Bertrandite ((BeO)4(SiO2)2(H2O)
   424  (JSmol)              -730.5     -710.4       22.3   62.5   Kanemite (Na2O)(SiO2)4(H2O)7
   425  (JSmol)              -989.4     -915.2        9.1   12.6   Lizardite (Mg3Si2O5 (OH)4)
   426  (JSmol)              -643.0     -666.4       12.0   41.3   Illite ((Al2O3)2 (SiO2)8 (H2O)2)
   427  (JSmol)              -648.3     -644.5       18.6   38.9   Pyrophyllite (AlSi2O5(OH))
   430  (JSmol)              -949.4     -939.2       11.8   24.1   Dickite ((Al2O3)(SiO2)2(H2O)2)
   431  (JSmol)              -949.8     -937.0        9.9   29.9   Kaolinite ((Al2O3)(SiO2)2(H2O)2)
   432  (JSmol)              -949.6     -938.9       11.9   26.4   Nacrite ((Al2O3)(SiO2)2(H2O)2)
   435  (JSmol)             -1706.2    -1679.0       20.2   49.0   Yegorovite (Na4[Si4O8(OH)4] 7(H2O))
   436  (JSmol)             -1344.6    -1245.7        9.3   16.9   Talc (MgO)3(SiO2)4(H2O)
   437  (JSmol)             -1335.3    -1246.8        7.4   13.8   Vermiculite (Mg3Si4O10(OH)2)
   441  (JSmol)             -2228.7    -2064.2       10.6   19.4   Aquamarine ((NaOH)(Al2O3)(BeO)3(SiO2)6)
   442  (JSmol)             -1372.2    -1267.8        7.8   70.6   Si8H8O12 (ICSD 75244)
   443  (JSmol)             -2817.5    -2589.0       10.8   17.8   Cummingtonite ((MgO)7(SiO2)8(H2O))
   447  (JSmol)               -23.4      -21.6       52.9   30.0   Tetramethyldiphosphane (KAKGEI)
   448  (JSmol)                 1.0        0.0       20.3   21.4   1,8-bis(tris(Dimethylamino)phosphoranylideneamino)naphthalene
   449  (JSmol)               -70.2      -82.9       11.8   18.8   Tetramethyl-tetra-aza-diphosphabicyclooctane-3,7-dione (BAMWUH)
   452  (JSmol)  -307.0      -289.0     -287.5       16.0   33.9   Phosphoric acid (H3PO4)
   453  (JSmol)  -273.7      -336.6     -341.2       27.5   17.2   Ammonium dihydrogenphosphate (NH4 H2PO4)
   454  (JSmol)  -374.5      -355.3     -387.1       28.9   35.0   Ammonium hydrogen phosphate ((NH4)2HPO4) (ICSD 2799)
   455  (JSmol)              -370.3     -363.5       28.3   36.1   N(Me)4H2PO4 H2O (FIJHEL)
   456  (JSmol)              -416.7     -428.0       25.0   23.5   DL-2-Amino-4-phosphonobutyric acid monohydrate (CAXDIO01)
   457  (JSmol)              -766.5     -628.2       41.2   17.3   H5Be2PO7 (ICSD 1710400)
   458  (JSmol)              -510.4     -485.8        9.2   15.4   Phosphatidylcholine (LYPCHL)
   459  (JSmol)              -532.5     -521.9       21.2   19.7   Adenosine-3'-phosphate dihydrate (ADPOSD)
   463  (JSmol)              -714.2     -707.4       14.4   20.1   (2)-(N,N'-Diethyl-4,4'-bipyridiniumdibenzena-decaoxacyclo-octacosaphane)-rotaxane bis(hexafluorophosphate) acetone solvate (GITXOX)
   464  (JSmol)              -742.2     -745.1       14.1   17.5   (2)-(bis(1,5-naphtho)-38-crown-10)-(N,N'-bis-(3-carboxypropyl)-4,4'-bipyridinium)-pseudorotaxane bis(hexafluorophosphate) (LEZZAS)
   467  (JSmol)              -353.9     -379.1       24.9   56.5   Sodium tetrametaphosphate (NaH2PO4)
   468  (JSmol)              -668.4     -639.7       27.8   49.2   Stercorite (Na(NH4)HPO4 4(H2O))
   470  (JSmol)  -417.8      -418.1     -447.1       37.0   43.9   Sodium Hydrogen Phosphate (Na2HPO4)
   471  (JSmol)  -417.8      -417.2     -444.9       35.3   39.4   Sodium hydrogen phosphate (Na2HPO4) (ICSD 81304)
   472  (JSmol)              -538.5     -530.9       41.9   53.2   Dorfmanite (Na2HPO4 2(H2O))
   473  (JSmol)              -835.5        -.-        9.1    -.-   Disodium hydrogen orthophosphate heptahydrate (H15Na2O11P)
   475  (JSmol)              -590.0     -561.9       22.2   12.1   Newberyite (MgHPO4 3(H2O))
   480  (JSmol)              -526.1     -572.8       22.7   31.2   Variscite (AlPO4(H2O)2)
   484  (JSmol)              -649.9     -638.0       13.3   30.3   Phosphoric acid hemihydrate ((H3PO4)2 H2O) (ICSD 2096)
   485  (JSmol)              -928.1     -929.7       10.2   12.1   tris(Hydroxymethyl)-methylammonium adenosine-5'-diphosphate dihydrate (HMADPH)
   486  (JSmol)             -1037.3    -1020.1       14.4   17.5   Nicotinamide adenine dinucleotide tetrahydrate (CEVYEH11)
   488  (JSmol)              -804.5     -751.3       27.4   39.9   Magnesium hypophosphite hydrate (Mg(H2PO2)2 6(H2O))
   489  (JSmol)             -1034.7     -943.5       20.1   25.0   tetrakis(Urea) bis(dihydrogen phosphate) magnesium (BORTAD)
   490  (JSmol)              -827.8     -878.9       17.5   30.1   catena-(Tri-sodium (mu-2-fluoro)-(methylenediphosphonate)-magnesium monohydrate) (DEKSIV)
   492  (JSmol)             -1399.8    -1296.4       23.5   11.0   Bobierrite Mg3(PO4)2(H2O)8
   493  (JSmol)             -2394.7    -2311.0       28.2   31.2   Magnesium phosphate hydrate (Mg3(PO4)2 22(H2O))
   494  (JSmol)             -1776.6    -1492.6       18.8   13.2   Raadeite (Mg7(PO4)2(OH)8)
   495  (JSmol)             -1217.6    -1352.9       28.8   12.9   Brazilianite (NaAl3(PO4)2(OH)4)
   496  (JSmol)               -25.9      -39.8       21.2   19.2   4-Methyl-triphosphatricycloheptane (FATYUU)
   497  (JSmol)              -472.2     -527.0       29.4   21.6   (1-(tris(dimethylamino)phosphoranylideneammonium)-8-(tris(dimethylamino)phosphoranylideneamino)naphthalene) hexafluorophosphate (SAXLAF)
   498  (JSmol)              -815.2    -1141.2       37.8   63.7   Sodium trimetaphosphate (Na2HP3O9)
   499  (JSmol)             -1124.2    -1197.3       19.8   29.4   Disodium adenosine-triphosphate trihydrate (ADENTP)
   500  (JSmol)               -52.8      -68.1       31.0   25.9   Tetraphosphabicyclooctane (XEYZEG)
   503  (JSmol)             -1507.7    -1383.9       29.3   29.1   Tetralithium Tetrametaphosphate Pentahydrate (Li4P4O12 5(H2O))
   504  (JSmol)             -1961.2    -1638.0       51.1   20.4   catena-(Hexane-1,6-diammonium bis(mu-4-phosphato)-bis(mu-3-hydrogen phosphato)-bis(hydroxy)-tetra-beryllium monohydrate) (ACOKUZ)
   505  (JSmol)             -1359.4        -.-       40.6    -.-   NaPO3 H2O
   506  (JSmol)             -1374.7    -1561.6       38.4   80.2   Sodium cyclooctaphosphate hexahydrate (Na8P8O24 6(H2O))
   507  (JSmol)              -141.1      -36.9       25.7   33.6   bis(2,6-bis((Dimethylphosphino)methyl)phenyl)-magnesium benzene solvate (YESVIB)
   513  (JSmol)                -1.0       -2.9        9.9   20.8   II (GUFJOG)
   514  (JSmol)  -138.0      -137.8     -149.8       19.4   29.9   Methionine (LMETON02)
   515  (JSmol)               -69.1      -65.0       26.5   16.3   VI (UJIRIO01)
   516  (JSmol)                38.6       36.1       15.2   17.7   ROY (QAXMEH)
   517  (JSmol)                41.6       40.6       10.3   11.9   ROY (QAXMEH01)
   518  (JSmol)                37.3       38.5       17.3   13.3   ROY (QAXMEH02)
   519  (JSmol)                39.6       38.2       12.5   16.3   ROY (QAXMEH03)
   520  (JSmol)                38.6       36.8       17.9   19.1   ROY (QAXMEH04)
   521  (JSmol)                44.0       41.2       13.6   11.8   ROY (QAXMEH05)
   522  (JSmol)                40.9       40.2       13.6   16.7   ROY (QAXMEH12)
   524  (JSmol)              -184.7     -189.1       16.0   21.3   Taurine (TAURIN05)
   525  (JSmol)              -116.3     -116.0       22.1   11.7   Saccharin
   528  (JSmol)              -259.4     -250.2       14.8   24.1   Lithium naphthalene sulfonate
   529  (JSmol)  -282.2      -303.8     -313.6       26.6   29.1   Ammonium sulfate (2(NH4)SO4)
   530  (JSmol)  -282.2      -317.6     -314.6       27.0   21.4   Mascagnite ((NH4)2SO4)
   531  (JSmol)              -130.2     -126.8       17.4   16.0   Piroxicam (BIYSEH06)
   532  (JSmol)              -135.2     -125.2       16.4   23.8   5H-dibenz(b,f)azepine-5-carboxamide saccharin solvate (UNEZAO)
   533  (JSmol)              -125.1     -124.3        5.7    4.8   Carbamazepine Saccharin
   534  (JSmol)              -138.4     -121.1       19.0   20.0   Sildenafil
   535  (JSmol)              -413.4     -387.8       15.6   18.5   Lithium sulfate hydrate (Li2SO4 H2O) (ICSD 201531)
   536  (JSmol)              -284.9     -271.3       32.6   28.2   Sulfuric acid hydrate (H2SO4 (H2O)) (ICSD 1413417)
   537  (JSmol)              -239.8     -209.1        8.8   15.3   1-Dimethylamino-8-dimethylammonionaphthalene saccharin dihydrate (AJOHUC)
   538  (JSmol)              -196.4     -180.5       17.8   26.3   Sildenafil dioxane
   539  (JSmol)               -92.0      -83.3       16.1   12.8   Nevirapine hemikis(saccharin)
   540  (JSmol)              -268.1     -255.2       18.6   20.5   Sildenafil suberate
   541  (JSmol)              -286.4     -283.0       19.2   16.8   Sildenafil salicylate
   542  (JSmol)              -579.1     -527.5       18.8   12.6   Beryllium sulfate tetrahydrate (BeSO4 4(H2O)) (ICSD 23218)
   543  (JSmol)              -516.8     -465.8       22.3   11.4   Sulfuric acid tetrahydrate (H2SO4 4(H2O)) (ICSD 2783)
   544  (JSmol)              -295.3     -289.9       15.0    8.0   Berberine sulfate (CISREB)
   545  (JSmol)              -432.1     -433.3       11.9   12.9   18-Crown-6 aminosulfuric acid clathrate (SOVJOC)
   546  (JSmol)              -569.7     -523.2       16.2   22.0   Sildenafil hydrogen fumarate trihydrate
   552  (JSmol)              -746.4     -701.0       30.2   29.1   Hexahydrite (MgSO4 6(H2O))
   553  (JSmol)              -826.6     -766.1       25.9   24.1   Epsomite (MgSO4 (H2O)7)
   554  (JSmol)             -1306.3    -1248.3       26.5   23.9   Sulfoborite (Mg3SO4(B(OH)4)2(OH)F)
   555  (JSmol)             -1200.4    -1068.9       26.6   31.4   Aluminite (Al2SO6 9(H2O))
   556  (JSmol)               -37.8      -60.6        8.3   12.0   Tetramethyl diphosphine disulfide (TMDPDS)
   557  (JSmol)              -460.6     -466.6       16.2   26.1   4-Fluoro-2-(phosphonomethyl)benzenesulfonic acid monohydrate (KIXQIR)
   558  (JSmol)                41.3       38.6        8.4    8.1   2,2'-Dithenyl (DTENYL)
   559  (JSmol)                 9.7       10.8        6.9   15.9   3,3'-Dithienyl ketone (DTHKET)
   560  (JSmol)               -20.7      -17.2        6.5    6.8   Tetrathiafulvalenium 1 4 9 10-anthracenetetronide (YEVXIG)
   561  (JSmol)  -264.1      -248.8     -292.9       12.3   13.8   Cystine (LCYSTI10)
   562  (JSmol)              -128.3     -133.3       15.2   19.1   XX Benzyl-(4-(4-methyl-5-(p-tolylsulfonyl)-1,3-thiazol-2-yl)phenyl)carbamate
   563  (JSmol)              -141.2     -125.5       17.4   15.8   iso-Sildenafil
   564  (JSmol)              -487.3     -489.4       24.9   16.3   Sildenafil hemikis(oxalate)
   565  (JSmol)              -561.7     -583.9       19.5   23.2   18-Crown-6 tetra-aqua-bis(isothiocyanato)-magnesium (FUYCAD)
   566  (JSmol)              -908.2     -872.4       21.6   20.5   tris(Hexaaqua-magnesium) benzenehexa(methylsulfonate) tris(1,4-dioxane) clathrate (UMANOL)
   567  (JSmol)             -1339.9    -1273.9       28.3   35.9   Sodium magnesium sulfate decahydrate
   568  (JSmol)             -1491.3    -1354.6       20.4   29.4   Ammonium aluminum sulfate ((NH4)Al(SO4)2 (12(H2O))
   569  (JSmol)             -1460.8    -1311.4       24.0   33.3   Sodium alum (NaAl(SO4)2 12(H2O))
   571  (JSmol)                51.3       50.2       15.9   13.6   XIV N-(Dimethylthiocarbamoyl)benzothiazole-2-thione
   575  (JSmol)              -710.4     -696.3       14.1   14.9   tetrakis(Piroxicam) fumaric acid clathrate (DIKDIL)
   576  (JSmol)             -2383.6    -2235.0        6.6    9.2   Oxytocin 1XY10001
   578  (JSmol)             -2710.6    -2477.7       13.7   23.0   Pickeringite (MgAl2(SO4)4 22(H2O))
   580  (JSmol)              -592.9     -586.1       16.8   16.2   Sildenafil citrate monohydrate
   583  (JSmol)               -54.3      -45.2       32.8   25.9   (Cyclopentadienyl)-chloro-beryllium (JEFKIO)
   584  (JSmol)   -75.1       -91.0      -73.9       27.4   21.5   Ammonium chloride (NH4Cl)
   585  (JSmol)               -14.0       -5.0       21.4   14.0   p-Chloroaniline (CLANIC05)
   586  (JSmol)   -47.1       -71.9      -63.4       26.0   24.3   Hydrazinium chloride (N2H5Cl) (ICSD 65334)
   587  (JSmol)              -188.4     -178.3       57.1   54.0   Hydrogen chloride dihydrate (ICSD 15353)
   588  (JSmol)              -132.7     -127.2       33.6   28.2   Monochloroacetic acid (CLACET02)
   589  (JSmol)              -108.4     -101.7       48.4   15.0   p-Chlorobenzoic acid (CLBZAP03)
   590  (JSmol)               -90.3      -89.2       18.3   11.4   N-Chlorosuccinimide (CSUCIM)
   591  (JSmol)              -164.3     -146.1       30.1   27.9   Acetylcholine (ACHOLC01)
   592  (JSmol)              -184.7     -162.1        8.0   10.6   N-Methylacetamide hemihydrochloride -NH-COH- (BOZGAY)
   593  (JSmol)              -159.7     -161.3       15.2   27.6   N-Methylacetamide hemihydrochloride -NH2-CO- (BOZGAY)
   594  (JSmol)              -147.2     -150.5       20.3   20.2   Tryptophan (TRYPTC)
   595  (JSmol)              -250.3     -201.4       11.2    7.4   Caprinolactam hemihydrochloride -NH-COH- (CAPINC)
   596  (JSmol)              -234.5     -196.6        8.1   22.0   Caprinolactam hemihydrochloride -NH2-CO- (CAPINC)
   597  (JSmol)               -87.6      -84.9       24.8   17.3   1 4 dioxocine 6-carboxylic acid chloride (CUWWIA)
   598  (JSmol)              -163.8     -166.8       16.9   11.6   beta-Hydroxystyryl-N-(2-pyridinyl)acetamide hydrochloride monohydrate -NH-COH- (DIDVER)
   599  (JSmol)              -151.0     -170.9       24.0   10.3   beta-Hydroxystyryl-N-(2-pyridinyl)acetamide hydrochloride monohydrate -NH2-CO- (DIDVER)
   601  (JSmol)   -54.9      -123.9     -104.7       31.2   46.2   Ammonium perchlorate (NH4ClO4) (ICSD 40382)
   602  (JSmol)              -172.3     -163.1       20.0   10.4   Indomethacin
   603  (JSmol)              -365.1     -350.0       17.1   13.7   L-Lysine monohydrochloride dihydrate (LYSCLH)
   604  (JSmol)              -144.1     -134.5       50.1   60.1   Oxonium perchlorate (H3O(+) ClO4(-)) (ICSD 23866)
   605  (JSmol)              -213.3     -195.6       11.8    5.1   Indomethacin nicotinamide
   606  (JSmol)              -484.3     -437.8       50.9   57.7   Hydrogen chloride hexahydrate (H9O4(+) Cl(-) 2(H2O)) (ICSD 2235)
   607  (JSmol)              -249.7     -229.2       18.4   12.5   Indometacine caffeine
   608  (JSmol)              -290.3     -261.6       37.1   37.3   Perchloric acid trihydrate (HClO4 (H2O)3) (ICSD 27248)
   609  (JSmol)              -367.8     -341.1       18.5   10.7   2,3-Dioxo-N,N'-bis(2-methoxyethyl)terephthalamide hydrochloride diethyl ether solvate -NH-COH- (WEDDOZ)
   610  (JSmol)              -359.5     -372.1       16.3   10.2   2,3-Dioxo-N,N'-bis(2-methoxyethyl)terephthalamide hydrochloride diethyl ether solvate -NH2-CO- (WEDDOZ)
   611  (JSmol)              -381.1     -375.9       17.7   17.7   Indomethacin L-proline
   612  (JSmol)              -400.9     -380.6       25.6   28.9   Methyl (+-)-(1a,2b,8a,9a,10b)-2-chloro-4-aza-3-oxatetracyclo(8.4.0.02,9.04,8)tetradecane-9-carboxylate oxalic acid monohydrate (HUZKOC)
   613  (JSmol)              -336.1     -331.1       21.1   15.6   Fluoxetine hydrochloride benzoic acid
   617  (JSmol)              -327.6     -323.6       14.2   32.7   (15-Crown-5)-(perchlorato-O,O')-sodium (KAPDUA)
   619  (JSmol)              -106.4     -116.0       30.2   28.9   (Tetra-azacyclotetradecane)-dichloro-diethyl-di-aluminium (JAXTUX)
   621  (JSmol)              -173.6     -158.9       30.8   30.3   Tetramethylphosphonium chloride monohydrate (MIYHEH)
   622  (JSmol)               -85.9      -82.6       20.0   16.4   XVIII (1-((4-Chlorophenyl)sulfonyl)-2-oxopropylidene)diazenium
   623  (JSmol)              -356.7     -293.7       23.3   24.2   Methylene blue (MAPAZT10)
   624  (JSmol)              -291.6     -285.5       17.5   15.8   Indomethacin saccharin
   628  (JSmol)              -127.4     -111.2       25.0   12.7   bis(Acetonitrile) beryllium chloride (MECYBC)
   629  (JSmol)              -121.8      -83.1       26.1   16.7   Chloro-tris(1,3-dimethylimidazolin-2-ylidene)-beryllium chloride (ZEZYEI)
   631  (JSmol)              -288.1     -251.3       16.7   11.5   Beryllium chloride diethyl ether solvate (ETBECL)
   632  (JSmol)              -446.8     -410.2       52.7   56.5   Beryllium dichloride tetrahydrate (BeCl2 4(H2O)) ICSD 417642)
   633  (JSmol)              -207.0     -191.8       15.6    4.1   Aceclofenac
   634  (JSmol)               -36.9      -18.4       23.7   14.7   XVII 1,2-Dichloro-4,5-dinitrobenzene
   635  (JSmol)              -267.4     -251.6       20.2   14.3   Aceclofenac cytosine
   636  (JSmol)              -426.1     -391.6       19.5   12.0   Indomethacin Lidocaine
   637  (JSmol)              -685.2     -679.3       22.1   16.6   Fluoxetine hydrochloride fumaric acid
   638  (JSmol)              -716.8     -713.0       20.8   15.8   Fluoxetine hydrochloride succinic acid
   639  (JSmol)              -247.9     -237.4       26.0   17.8   Fluoxetine hydrochloride
   641  (JSmol)  -597.3      -606.9     -582.1       36.5   41.8   Magnesium dichloride hexahydrate (MgCl2 6(H2O)) (ICSD 47161)
   642  (JSmol)              -569.1     -531.9       39.4   40.8   Hexa(ethanolato-O)-magnesium dichloride (JADJED)
   643  (JSmol)              -455.2     -430.3       22.7   18.3   Aqua-chloro-(15-crown-5)-magnesium chloride acetonitrile solvate (YAFYEJ)
   647  (JSmol)              -156.8     -147.0       25.1   14.3   Chloral hydrate (CHORLH01)
   651  (JSmol)              -443.9     -440.8       24.9   15.3   Aceclofenac hemikis(piperazine)
   652  (JSmol)              -598.7     -587.2       22.4   16.3   Aceclofenac hemikis(piperazine) hydrate
   653  (JSmol)              -521.4     -465.8       24.9   13.0   Aceclofenac hemikis(bipyridine) hydrate
   655  (JSmol)              -242.1     -196.2       36.6   15.9   2,4,4,6,6-Pentachloro-2-(piperidyl)cyclotriphosphazene (POTKEO)
   657  (JSmol)              -549.4     -483.9       24.9    7.5   Tetrachlorophthalic acid hemihydrate (TCLPHA)
   658  (JSmol)              -715.8     -662.1       24.9   22.3   [H(CH3OH)3(+)][CHB11Cl11(-)]
   659  (JSmol)              -734.9     -671.5       25.7   24.9   [H7O3(+)][CHB11Cl11(-)]
   660  (JSmol)              -808.8     -739.6       26.1   20.8   [H9O4(+)][CHB11Cl11(-)]
   664  (JSmol)   -54.3       -42.6        1.9       38.1   78.8   Potassium borohydride (KBH4) (ICSD 99264)
   665  (JSmol)   -30.8       -12.0      -29.2       42.1   47.5   Potassium amide (KNH2) (ICSD 24519)
   667  (JSmol)               -87.3      -86.7       43.2   59.6   Potassium deuteriooxide (KOH) (ICSD 65163)
   668  (JSmol)  -162.4      -146.1     -163.3       17.6   12.9   Potassium formate (POTFRM)
   669  (JSmol)              -162.9     -148.9       35.0   89.7   Potassium hydroxide hydrate (KOH (H2O)) (ICSD 47114)
   670  (JSmol)              -162.6     -143.4       36.6   86.7   Potassium hydroxide hydrate (KOH H2O) (ICSD 1706151)
   675  (JSmol)  -230.2      -211.8     -240.1       25.2   58.8   Kalicinite (KHCO3)
   678  (JSmol)              -282.5     -288.5       20.1   23.2   Potassium hydrogen acetate
   679  (JSmol)              -400.2     -338.9       26.5   69.0   Potassium hydroxide tetrahydrate (KOH 4(H2O)) (ICSD 36598)
   681  (JSmol)  -221.0      -198.6     -227.8       35.8   21.7   Potassium hydrogen fluoride (KHF2) (ICSD 18094)
   682  (JSmol)              -451.6     -463.3       23.0   12.3   Potassium aluminum carbonate hydroxide (KAlCO3 (2(OH))
   683  (JSmol)              -521.1     -511.2       14.8   19.0   Hydrated potassium dawsonite (KAl(CO3)(OH)2 H2O)
   687  (JSmol)              -347.2     -351.6       28.0   29.3   KPO3 2(H2O)
   688  (JSmol)  -374.8      -347.7     -344.9       21.7   19.5   Potassium dihydrogenphosphate (KH2PO4) (ICSD 87895)
   690  (JSmol)              -800.1     -781.4       22.5   23.8   Potassium adenosine-5'-diphosphate dihydrate (KADPHD02)
   693  (JSmol)  -277.4      -265.0     -289.6       19.0   19.7   Mercallite (KHSO4)
   694  (JSmol)              -661.2     -652.9        9.2   11.3   Nonactin-potassium thiocyanate (NONKCS)
   695  (JSmol)             -1472.6    -1301.7       27.0   43.8   Potassium alum (KAl(SO4)2 12(H2O))
   696  (JSmol)             -1270.5    -1186.7       21.4   12.3   Alunite (KAl3(SO4)2(OH)6)
   701  (JSmol)              -683.8     -629.2       41.1   41.0   Carnallite (KMg(H2O)6Cl3)
   707  (JSmol)              -382.4     -405.6       23.1   39.3   catena-((mu-8-Croconato)-di-aqua-di-potassium) (XEYYUV)
   713  (JSmol)              -891.6     -868.3       13.6   38.8   Leonite (K2Mg(SO4)2 4(H2O))
   716  (JSmol)             -1270.3    -1327.6       30.8   27.9   Potassium beryllium bis(malonate) hemihydrate (MALBEK)
   717  (JSmol)             -1388.6    -1407.7       29.4   29.7   Tetrapotassium tetrametaphosphate tetrahydrate (K4H8P4O16)
   721  (JSmol)  -235.5      -214.9     -221.7       13.1    7.8   Portlandite (Ca(OH)2)
   725  (JSmol)  -331.4      -355.1     -313.1       33.1   19.4   Calcium formate (CAFORM12)
   726  (JSmol)              -424.3     -368.9       36.4   19.2   Whewellite (Ca(Ox)(H2O)) (CALOXM03)
   727  (JSmol)              -490.0     -438.7       29.8   15.9   Weddellite (Ca(C2O4) 2(H2O))
   729  (JSmol)              -563.9     -509.8       31.2   16.8   Caoxite (Ca(C2O4) 3(H2O))
   730  (JSmol)              -838.7     -836.8       16.5    6.7   Colemanite (Ca2B6O11 5(H2O))
   731  (JSmol)              -548.7     -508.0       15.6   14.6   bis((mu-2-Aqua)-hexa-aqua-calcium 5,5'-azotetrazolate) dihydrate (MINBOA)
   732  (JSmol)              -737.5     -695.0       18.3   11.9   Ikaite ((CaO)(CO2)(H2O)6)
   733  (JSmol)              -535.0     -540.6       31.9   23.9   Nitrocalcite (Ca(NO3)2 4(H2O))
   735  (JSmol)             -1636.4        -.-       19.0    -.-   Ulexite ((Na2O)(CaO)2(B2O3)5(H2O)16)
   736  (JSmol)              -699.2     -720.9       15.9   24.3   Gaylussite CaNa2(CO3)2 5(H2O)
   740  (JSmol)              -603.8     -565.1       16.0   17.2   Datolite (CaBSiO4(OH))
   744  (JSmol)             -1139.1    -1201.8       12.1   35.4   Lawsonite (CaAl2Si2O7(OH)2 (H2O))
   745  (JSmol)              -652.5     -550.1       21.8   12.2   Herderite (CaBe(PO4)F(OH))
   746  (JSmol)              -652.5     -550.2       22.3   13.9   Hydroxylherderite (CaBe(PO4)(OH))
   747  (JSmol)              -721.7     -678.7       27.5   24.8   Calcium bis(dihydrogenphospate) (CaH4P2O8)
   750  (JSmol)              -499.8     -424.6       24.0   22.4   Gypsum (CaSO4 2H2O)
   751  (JSmol)             -1407.6    -1320.5       21.9   20.4   Woodhouseite CaAl3(PO4)(SO4)(OH)6
   753  (JSmol)              -646.4     -583.5       25.6   17.0   Calcium acetate chloride pentahydrate (CALCLA)
   755  (JSmol)              -586.1     -536.2       30.9   23.7   bis(Dihydroxypropan-2-one)-diaqua-dichloro-bis(1,3-dihydroxypropan-2-one)-di-calcium dichloride (NADQEP)
   756  (JSmol)               -81.2      -17.3       24.8   13.4   bis(tris(2-Pyridylmethyl)amine)-calcium diperchlorate (FESPOI)
   757  (JSmol)              -314.7     -114.8       22.1   23.4   bis(h5-isopropyl-tetramethyl-cyclopentadienyl)-(1,3-di-isopropyl-4,5-dimethylimidazol-2-ylidene)-calcium toluene solvate (QIBBEI)
   758  (JSmol)              -978.2     -876.2       15.6   13.2   Dicalcium naphthalenetetracarboxylate Pentahydrate (Ca2C14H14O13)
   761  (JSmol)             -1518.0    -1474.4       10.7   18.5   Prehnite (CaO)2(Al2O3)(SiO2)3(H2O)
   762  (JSmol)             -1695.4    -1731.7       31.8   11.2   Tanzanite ((CaO)4(Al2O3)3(SiO2)6(H2O))
   763  (JSmol)             -3013.6        -.-       12.1    -.-   Thomsonite (Na2O)(CaO)4(Al2O3)5(SiO2)10(H2O)12
   764  (JSmol)             -2881.4    -2730.4       11.3   19.0   Tremolite (CaO)2(MgO)5(SiO2)8(H2O)
   767  (JSmol)             -2430.5    -2306.9       21.5   22.5   Cucurbituril calcium bisulfate sulfuric acid tridecahydrate (BEBDOB)
   768  (JSmol)             -1231.0    -1236.9       16.5   12.2   Parahilgardite ((CaO)2(B2O3)5(Na2O)(H2O)2)
   770  (JSmol)             -1437.0    -1392.8        8.2   15.9   Polyhalite (K2Ca2Mg(SO4)4 2(H2O))
   771  (JSmol)             -1223.9    -1202.0       15.1   14.0   Rosenhahnite (H2Ca3Si3O10)
   776  (JSmol)             -3026.2    -2892.8        8.3   23.6   Apophyllite ((CaO)4 (SiO2)8 (H2O)8 KF)
   777  (JSmol)             -3026.1    -2890.3       16.8   32.2   Fluorapophyllite (KCa4Si8O20 8(H2O)
   778  (JSmol)             -1587.1    -1455.3       15.6   15.6   Hydroxylapatite (Ca5(PO4)3(OH))
   782  (JSmol)              -434.0     -431.5       23.5   12.2   catena-(tris(mu-2-Formato-O,O')-scandium) (SCFORM11)
   783  (JSmol)              -555.4     -512.6       16.1   14.4   catena(Aqua-hydroxo-malonato-scandium(iii) dihydrate) (AXMLSC)
   785  (JSmol)              -616.5     -580.4        8.6    7.9   tris(Guanidinium) hexafluoro-scandium(iii) (HEYRUZ)
   786  (JSmol)              -563.2     -432.5       26.8   41.9   catena-((mu-3-Methylphosphonato)-(mu-2-fluoro)-aqua-scandium) (UDEHOB)
   787  (JSmol)             -1692.7    -1572.1       19.9   33.9   Nona-aqua-scandium(iii) tris(trifluoromethanesulfonate) (NINMIG)
   789  (JSmol)              -246.2     -231.3       24.0   14.9   fac-(1,3,5-Trimethyl-1,3,5-triazacyclohexane)-trichloro-scandium (JASWUW)
   790  (JSmol)              -365.4     -366.8       21.1   19.3   Trichloro-(2,5,8-trioxononane)-scandium (CORNIG)
   798  (JSmol)              -380.9     -363.2       10.3   24.2   Ti2(C2O4)O3(H2O)3)
   799  (JSmol)              -596.5     -606.0       15.0   22.7   Aqua titanium(III) EDTA hydrate ((YUCMAK)
   803  (JSmol)              -590.5     -540.9       20.3   44.5   bis(Guanidinium) hexafluoro-titanium (KOYXOL)
   807  (JSmol)              -443.0     -409.7       19.2   28.3   Titanium oxide sulfate hydrate (TiO(SO4)(H2O))
   808  (JSmol)              -486.4     -432.5       11.3   11.2   Tris(Acetylacetonato) titanium(iv) perchlorate (TIACPC)
   811  (JSmol)              -803.0     -552.9       29.9   39.3   Titanium(iii) perchlorate-hexa-urea complex (TIUERA)
   812  (JSmol)              -179.0     -163.0       29.7   36.5   Pyridinium (h5-cyclopentadienyl)-tetrachloro-titanium (ICESEO)
   813  (JSmol)              -295.2     -229.1       14.2   30.2   bis(Tetraethylammonium) tetrachloro-sulfido-titanium (GERHAM10)
   814  (JSmol)              -328.9     -291.5       25.2   21.4   bis(Pyridinium) isopropoxy-pentachloro-titanium(iv) (ZUMMUP)
   815  (JSmol)              -663.9     -643.7       14.4   15.6   18-Crown-6 oxonium clathrate aqua-pentachloro-titanium (SEPJEC)
   816  (JSmol)              -350.1     -299.0       27.1   44.5   bis(Dimethylammonium) hexachloro-titanate (BARMAJ)
   818  (JSmol)              -584.4     -572.3       20.5   15.5   Dichloro-(15-crown-5)-titanium tetrachloro-aluminium (YARSUF)
   824  (JSmol)              -288.0     -302.2       12.1   24.0   bis(Acetylacetonato)-oxo-vanadium(iv) (ACACVO01)
   827  (JSmol)              -186.6     -188.9       31.0   25.2   catena-((mu-2-4,4'-Bipyridine)-(mu-2-fluoro)-difluoro-vanadium(iii)) (UDISIK)
   829  (JSmol)              -482.2     -457.2       13.1   28.5   Ethylenediammonium pentafluoro-oxo-vanadium (ENDFVO)
   832  (JSmol)             -1012.5    -1009.9       35.2   25.7   bis(Trifluoromethanesulfonate) hexa-aqua-vanadium(ii) (VEPSUE)
   833  (JSmol)               -45.4      -33.8       35.9   39.8   tris(Dithiolene)-vanadium(iv) (NAMPOG)
   835  (JSmol)              -125.6     -134.6       22.2   23.8   (h5-Cyclopentadienyl)-dichloro-oxo-vanadium(v) NIRKUU)
   837  (JSmol)              -379.1     -460.9       14.9   27.4   hexakis(Methanol)-vanadium(ii) dichloride (DATBUV)
   839  (JSmol)              -361.1     -254.3       23.3   14.5   bis(mu-2-Chloro)-bis(dichloro-bis(trimethylphosphine)-vanadium(iv)) (LEMCIP)
   844  (JSmol)              -440.0     -439.0       25.4   30.5   catena-(1,2-Ethylenediammonium bis(mu-2-oxo)-tetraoxo-di-vanadium) (FUDLOF02)
   845  (JSmol)              -327.4     -306.3       27.2   33.8   Ammonium chromate ((NH4)2CrO4) (ICSD 1501451)
   849  (JSmol)              -183.5     -125.1       11.4   22.7   CrO(OH)
   851  (JSmol)              -288.0     -321.7       27.1   19.3   tetrakis(mu-2-Acetato)-bis(aqua-chromium) (CRAQAC12)
   852  (JSmol)              -888.2     -927.5       19.2   19.9   Ammonium tris(oxalato-O,O')-chromium(iii) dihydrate (AMOXCR)
   853  (JSmol)              -210.3     -233.0       28.6   39.0   Pyridinium fluorochromate (NONYUK)
   856  (JSmol)              -229.7     -300.5       25.1   35.9   Guanidinium trans-tetrafluoro-bis(pyridine-N)-chromium(iii) (PUXPUT)
   857  (JSmol)               185.9      183.0       16.5   12.7   hexakis(6-Isocyanoazulene-C)-chromium tetrafluoroborate (GUZCOT)
   858  (JSmol)              -430.5     -440.9       32.0   38.6   o-Phenylene-di-ammonium aqua-pentafluoro-chromium(iii) (YASHOP)
   864  (JSmol)             -1263.7    -1242.0       39.2   41.8   Ammonium chromium(III) alum ((NH4)Cr(SO4)2 12(H2O))
   865  (JSmol)              -177.9     -173.3       31.4   46.9   4,4'-Bipyridinedi-ium bis(chloro-trioxo-chromium(vi)) (HIHFOT)
   866  (JSmol)              -255.8     -256.1       12.3   13.5   trans-Difluoro-bis(ethylenediamine)-chromium(iii) chloride (BAVGUA10)
   867  (JSmol)              -404.9     -372.1       15.5   43.5   Ethylenediammonium ethylenediamine-tetrafluoro-chromium(iii) chloride (DIYFEW)
   869  (JSmol)               -72.8      -11.0       33.2   48.0   bis(mu-2-Chloro)-bis(h5-cyclopentadienyl)-dichloro-di-chromium (CATSEV01)
   871  (JSmol)              -285.6     -197.6       16.6   24.8   trans-Dichloro-tetrakis(ethylamino)-chromium chloride (TIXMES)
   872  (JSmol)              -230.1     -146.5       22.8   12.8   Propane-1,3-diammonium tetrachloro-chromium(ii) (BAHVIP)
   873  (JSmol)              -387.6     -290.8       18.3   10.1   tetrakis(Dimethylammonium) hexachloro-chromium chloride (FAMVUK10)
   874  (JSmol)              -441.9     -551.3       17.6   32.2   Potassium (tetramethylenediamine-N,N,N',N'-tetra-acetato)-chromium(iii) monohydrate (YITNAQ01)
   875  (JSmol)              -813.1     -792.1       25.5   34.6   trans-Potassium bis(oxalato-O,O')-diaqua-chromium trihydrate (KOXACR)
   876  (JSmol)             -1389.1    -1230.5       34.5   58.7   Chromium potassium alum (KCr(SO4)2 12(H2O))
   879  (JSmol)             -1182.1    -1109.0       16.2   16.4   Calcium potassium trisoxalato chromate(III) pentahydrate (KCaCr(III)(C2O4)3 5(H2O))
   882  (JSmol)                58.1       96.2       32.5   28.4   Hexamminechromium(iii) hexacyanochromate(iii) (Cr(NH3)6 Cr(CN)6) (ICSD 61679)
   889  (JSmol)              -737.0     -709.1       20.2   19.5   Hexaaqua-manganese(ii) ethylenediammoniotetraacetate (ACIJAY)
   890  (JSmol)              -147.7     -132.0       11.9   28.7   Hexamethylguanidinium pentacarbonyl-manganese (VILRUD)
   896  (JSmol)              -129.2        -.-       54.2    -.-   MnO(OH)
   899  (JSmol)              -546.8     -285.2       27.0   53.4   Tetramethylammonium diaqua-tetrafluoro-manganese(iii) (TMAFMN)
   901  (JSmol)               -77.3     -117.7       11.6    9.4   Methyltriphenylphosphonium permanganate (MEPHMN01)
   905  (JSmol)              -114.8      -88.6       23.1   27.9   1,3-Propylenediammonium tetrachloro-manganese(ii) (PYDAMN03)
   906  (JSmol)              -138.0      -98.2       17.3   16.6   bis(Tetramethylammonium) tetrachloro-manganese (KAVWAF05)
   907  (JSmol)              -313.1     -228.3       26.0   35.7   bis(2-(Ammoniomethyl)pyridinium) hexachloromanganate(ii) dihydrate (LIDQUL)
   914  (JSmol)                36.2       22.8       16.6   23.7   Ferrocene (FEROCE16)
   915  (JSmol)                36.7       30.8       12.3    6.9   Ferrocene (FEROCE24)
   916  (JSmol)               -34.8      113.1       14.1   25.7   Hydrogen hexacyanoferrate (H4Fe(CN)6)
   919  (JSmol)              -175.4     -219.8       26.8   52.5   Iron(iii) oxide hydroxide (FeO(OH))
   921  (JSmol)                42.1       11.5       11.6   50.2   bis(Fulvalene-iron) (FULVFE)
   924  (JSmol)              -469.8     -431.2       18.5   22.3   tris(Guanidinium) hexafluoro-iron(iii) (FULHOJ)
   925  (JSmol)              -686.3     -686.9       11.4   31.5   Sodium iron(III) EDTA trihydrate (JEPKEU)
   927  (JSmol)              -566.2     -514.4       19.5   45.1   Nontronite (Fe(iii)Si2O5(OH))
   930  (JSmol)              -734.7     -667.8       35.5   32.6   Iron(ii) sulfate heptahydrate (FeSO4 7(H2O)) (ICSD 1120081)
   931  (JSmol)               -38.2      -64.3       33.9   32.4   Ferricinium tetrachloro-iron(iii) (FERRIC)
   933  (JSmol)             53423.3     -338.2       79.3   49.3   Iron(ii) dichloride tetrahydrate (FeCl2 4(H2O))
   934  (JSmol)               -99.5      -47.8       26.1   27.9   catena(Dichloro-bis(mu-2-pyrazine)-iron(ii)) (ZIFRUB)
   936  (JSmol)              -157.7      -98.7       39.3   37.9   Tetramethylammonium tetrachloro-iron(iii) (DIRKEU01)
   937  (JSmol)              -303.6     -221.9       45.0   46.3   beta-Alaninium tetrachloro-iron(iii) (BALACF)
   943  (JSmol)              -635.0     -538.6       22.5   25.1   Aqua-chloro-(15-crown-5)-iron(ii) oxonium tetrachloro-iron(ii) monohydrate (XEQGUV)
   945  (JSmol)                43.1       53.1       11.2   92.5   (Cyclopentadienyl)-(o-phenylene-diamino)-cobalt (CAFJEY)
   946  (JSmol)              -131.8      -95.7       13.6   94.3   (Cyclopentadienyl-carboxylic acid)-(cyclopentadienyl-carboxylato)-cobalt(iii) (BOHRAR)
   947  (JSmol)              -135.4      -96.2       14.8   87.5   (h5-Cyclopentadienyl-carboxylic acid)-(h5-cyclopentadienyl-carboxylato)-cobalt(iii) (BOHRAR)
   948  (JSmol)              -155.5     -179.0       19.9   69.9   Bisacetylacetonato-cobalt(ii) (LIYLIO)
   952  (JSmol)              -332.6     -340.7       27.6   68.9   Cobalt diformate dihydrate (Co(HCO2)2(H2O)2) (ICSD 109960)
   955  (JSmol)  -128.3      -160.7        -.-       37.6    -.-   Cobalt(ii) hydroxide (Co(OH)2)) (ICSD 88940)
   956  (JSmol)               -94.6       20.7       17.4   60.5   Hexamminecobalt(iii) hexacyanocobaltate(iii) (Co(NH3)6 Co(CN)6) (ICSD 2560)
   958  (JSmol)                66.6       48.9       27.2   88.5   bis(Cyclopentadienyl)-cobalt (DCYPCO)
   959  (JSmol)                55.6      -79.1       23.5   87.5   bis(Pentamethyl-cyclopentadienyl)-di-cobalt (VOGKEH)
   960  (JSmol)              -102.6      -19.9       16.8   73.7   bis(diethylenetriamine)-cobalt(iii) hexacyano-cobalt(iii) dihydrate (WEQBIE)
   961  (JSmol)              -360.0     -394.6       18.2   39.5   tris(Glycinato-N,O)-cobalt(iii) (SEZMEQ)
   965  (JSmol)              -206.0      -27.7       10.4   94.8   bis((Cyclopentadienyl)-(dimethylphosphido)-cobalt) (DAFZAL)
   966  (JSmol)              -489.0     -421.8       10.8   44.1   Decamethyl-cobaltocenium hexafluorophosphate (DIMJIS01)
   968  (JSmol)                56.2       93.6       27.4   91.0   Cyclopentadienyl-disulfur-dinitride-cobalt (BEMGIJ01)
   969  (JSmol)               -76.7       93.6       33.7   55.5   pentakis(Methylisonitrile)-cobalt(i) perchlorate (MINCOP)
   970  (JSmol)              -271.5     -118.0       55.6   87.3   Dichloro-nitrosyl-bis(trimethylphosphine)-cobalt (FALTER)
   971  (JSmol)              -419.3     -157.0       14.1   79.8   Chloro-tris(trimethylphosphine)-cobalt(i) (BUTDEZ)
   973  (JSmol)              -529.8     -406.8       20.4   97.6   Cobalt(ii) chloride hexahydrate (CoCl2 6(H2O))
   974  (JSmol)              -418.0     -312.3       21.1   82.3   Diaqua-dichloro-bis(urea)-cobalt (AQURCO10)
   975  (JSmol)              -339.1     -206.8       13.2   73.3   (+-)cis-Dichloro-bis(ethylenediamine)-cobalt(iii) chloride monohydrate (CLECOC01)
   976  (JSmol)              -515.4     -392.0       20.9   15.3   D,L-tris(Ethylenediamine)-cobalt(iii) trichloride trihydrate (COTENC01)
   977  (JSmol)              -234.1     -130.5       10.4   90.7   mer-Trichloro-(N-(3-aminopropyl)-1,3-propanediamine)-cobalt(iii) (AMPRCO)
   978  (JSmol)              -446.7     -312.7       27.2   75.8   trans-Dichloro-bis(ethylenediamine)-cobalt(iii) chloride hydrochloride dihydrate (ETDCOH02)
   981  (JSmol)              -427.8     -223.4       10.5   59.0   tris(Ethylenediamine) chromium(iii) hexacyano-cobaltate(iii) hexahydrate (ETDHCO)
   984  (JSmol)              -609.9     -713.9       19.5   76.8   Diaqua-15-crown-5-cobalt tetrachloro-cobalt monohydrate (VOMWUP)
   986  (JSmol)              -117.6     -109.1       39.6   20.5   ((2S,3S)-1,4-Dimethoxy-2,3-bis((salicylidene)amino)butane)-nickel(ii) (QAPDOB)
   987  (JSmol)                87.2       71.3       25.6   49.0   Diphenylacetylene bis(cyclopentadienyl nickel) (DPAPNI)
   988  (JSmol)              -136.1     -487.9       18.4   20.0   Hexa-ammine-nickel(ii) bis(trinitromethanide) (XIRNUI)
   993  (JSmol)  -126.6      -135.1      -87.8       31.4   28.5   Nickel(ii) hydroxide (Ni(OH)2) (ICSD 28101)
   994  (JSmol)                 9.2      -13.5       57.2   87.9   bis((mu-2-Carbonyl)-(cyclopentadienyl)-nickel) (CBCNIB)
   995  (JSmol)               -27.5      -72.8       58.7   69.4   bis(Hydrogen dimethylglyoximato)-nickel (NIMGLO12)
   996  (JSmol)                32.4       28.8       47.0   89.6   bis(Pentadienyl)-di-nickel (PDYDNI)
   997  (JSmol)              -690.7     -744.3       12.8   22.9   Nitrosyl-tris(trimethylphosphine)-nickel(0) hexafluorophosphate (FINJAN)
   998  (JSmol)               -26.7       11.3       26.3   53.8   Ammine-(salicylaldehyde thiosemicarbazonato)-nickel(ii) (AMSCNI11)
  1000  (JSmol)  -711.3      -706.5     -626.7       27.2   36.4   Nickel(ii) sulfate heptahydrate (NiSO4 7(H2O)) (ICSD 39419)
  1001  (JSmol)                49.2       51.1       46.5   82.9   tetrakis(mu-2-Dithioacetato-O,O')-di-nickel(ii) (DEPPAP)
  1002  (JSmol)               -35.0      -38.4       16.4   48.2   pi-Allyl-di(thiourea) nickel(ii) chloride (ALTUNI10)
  1004  (JSmol)              -177.7     -235.4       17.4   14.3   bis(bis(2-Aminoethyl)amine)-nickel(ii) dichloride monohydrate (AEAMNI10)
  1005  (JSmol)              -143.6     -124.6       17.1   18.2   Tetramethylammonium nickel(ii) trichloride (TMANIC)
  1006  (JSmol)              -193.8     -157.6       12.1   12.5   bis(Tetramethylammonium) tetrachloro-nickel (TMACNI03)
  1007  (JSmol)              -123.7     -109.1       24.3   16.7   bis(4-Chloropyridinium) tetrachlorido-nickelate(ii) (KIWGED)
  1009  (JSmol)              -701.8     -629.7       32.6   21.5   Calcium bis(dithio-oxalato-S,S')-nickel hexahydrate (CUPREK)
  1011  (JSmol)               -19.1       18.0        9.2   18.7   tris(1,3-Propanediamine) chromium(iii) pentacyanonickelate(ii) dihydrate (CRTNCN01)
  1012  (JSmol)              -292.6     -306.7       31.2   36.4   mu-2-(h5,h5-Cyclopentadienyl)-bis((h5-cyclopentadienyl)-nickel(ii)) tetrafluoroborate (TCPNIB10)
  1013  (JSmol)               206.8      147.1       39.0   63.9   (mu-3-Ethylidyne)-tris((cyclopentadienyl)-nickel) (GINJIW)
  1014  (JSmol)              -324.6     -306.9       26.2   31.5   Cis Cu Diglycine (CUGLYM02)
  1016  (JSmol)               -59.3     -132.1       22.8   45.6   Copper ammine nitrate (Cu(NH3)(NO3)2) (ICSD 78922)
  1017  (JSmol)  -107.5      -108.3     -119.6       16.2   48.7   Copper hydroxide (Cu(OH)2)
  1018  (JSmol)              -242.4     -236.4       37.1   57.4   Copper(II) fluoride, dihydrate (CuF2 2(H2O)) (ICSD 31768)
  1020  (JSmol)              -528.1     -533.8       16.3   25.7   Copper(ii) hexaquo dinitrate (Cu(NO3)2(H2O)6) (ICSD 1420846)
  1021  (JSmol)  -107.7      -108.3     -110.3       16.8   53.6   Copper(ii) hydroxide (Cu(OH)2) (ICSD 68459)
  1023  (JSmol)              -488.7     -472.1       23.2   19.8   Diaqua-bis(malonato-O,O')-copper hexa-aqua-copper (CUMALH)
  1024  (JSmol)              -307.6     -251.4       19.4   15.6   Tetraammine-copper(ii) bis(pyrazine-2-carboxylate) (TIBWUX)
  1025  (JSmol)               -66.4       59.1       12.0    8.6   bis(2-Methylamino-4-methylimino-2-pentene)-copper(ii) (TIZZAE01)
  1026  (JSmol)              -848.9     -746.2        8.7   30.1   bis(Ethylenediamine) copper(ii) bis(tetrafluoroborate) (CUTFBE10)
  1027  (JSmol)              -177.9     -206.7        9.3   20.5   bis(Ethylenediamine)-bis(nitrato-O)-copper(ii) (COPDEN)
  1028  (JSmol)              -233.9     -271.5       10.8   13.9   tetrakis(mu-2-Acetato)-bis(aqua-copper(ii)) (CUAQAC)
  1029  (JSmol)              -408.9     -414.1       15.8   17.6   trans-Diaqua-bis(methoxyacetato)-copper(ii) (CUACDH10)
  1030  (JSmol)              -673.7     -617.2       20.1   16.2   tris(Ethane-1,2-diamine-N,N')-copper(ii) bis(trifluoroacetate) (VIWMOE)
  1031  (JSmol)              -612.6     -694.1       14.4   38.3   Disodium bis(oxalato-O,O')-copper(ii) dihydrate (CUOXNA10)
  1032  (JSmol)              -307.3     -224.4       14.1   60.7   Dioptase Cu6(Si6O18) 6(H2O))
  1033  (JSmol)             -2541.6        -.-       43.7    -.-   Turquoise (CuAl6(PO4)4(OH)8 5(H2O))
  1035  (JSmol)              -574.3     -459.0       18.2   23.5   Copper sulfate pentahydrate (CuSO4 5(H2O))
  1036  (JSmol)              -388.7     -315.0       20.0   25.6   Tetraamminecopper(ii) sulfate hydrate ([Cu(NH3)4] SO4 H2O) (ICSD 23189)
  1037  (JSmol)              -444.7     -346.8       17.3   24.6   Tetramminecopper sulfate hydrate (Cu(NH3)4 (SO4) (H2O))
  1038  (JSmol)              -934.2     -861.3       18.7   17.9   Diammonium copper sulfate hexahydrate (Cu(NH4)2 (SO4)2 (H2O)6)
  1039  (JSmol)              -897.7     -846.8       18.4   26.4   Diammonium hexaquacopper(ii) sulfate ((NH4)2[Cu(H2O)6](SO4)2) (ICSD 62991)
  1040  (JSmol)                14.6       49.4       18.9   62.4   bis(2-Thio-6-picoline N-oxide)-copper(ii) (CAQCAY)
  1041  (JSmol)                -5.0       68.1       14.6   59.5   bis(mu-2-N,N-Diethyldithiocarbamato)-di-copper(i) (CUETSC)
  1042  (JSmol)                13.9       74.5       41.0   59.4   bis(1,1-Dimethylethylene-2,2-dithiolato-S,S')-copper(ii) (COYZOG)
  1043  (JSmol)               -21.1      100.5       19.7   53.4   bis(mu-2-Diethyldithiocarbamato)-bis(diethyldithiocarbamato)-di-copper(ii) (CETCAM01)
  1045  (JSmol)               -46.8      -40.2       17.6   11.3   tetrakis((mu-3-Chloro)-triethylamino-copper) (DEWKAR)
  1046  (JSmol)              -124.8      -25.7       28.7   64.6   Cyclo-tri-mu-thioacetamide-tris(chloro-copper(i)) (CTACCU)
  1047  (JSmol)               -60.0      -98.5       29.2   15.8   Dichloro-bis(mu-2-(2-(2-dimethylamino)ethylthio)ethanol)-di-copper(ii) (BICTAI)
  1048  (JSmol)              -146.1      -79.6       21.4   23.8   (tris(2-Aminoethyl)amine)-pyridine-copper(ii) diperchlorate (SELXIQ)
  1049  (JSmol)              -199.4     -197.4       26.0   35.3   Copper(II) chloride, dihydrate (CuCl2 2(H2O)) (ICSD 15087)
  1051  (JSmol)              -449.4     -410.1       23.7   18.1   Diaqua-(15-crown-5)-copper(ii) diperchlorate (ROBKOI)
  1052  (JSmol)              -170.0     -176.3       31.1   26.4   Dichloro(1,2-ethanediol) copper(ii) (CETDCU10)
  1053  (JSmol)               -20.1      -37.3       28.2   21.3   bis((mu-2-Chloro)-acetonitrile-chloro-copper(ii)) (DCUCAN)
  1054  (JSmol)              -176.3     -246.7       29.0   34.3   Dichloro-(beta-thiodiglycol) copper(ii) (CTDGCU)
  1055  (JSmol)              -161.6     -260.4       24.4   47.7   Aqua-(1,4,7,10-tetrathiacyclododecane)-copper(ii) diperchlorate (CEFXAM)
  1056  (JSmol)               -81.5      -69.5       21.9   18.4   4,4'-Bipyridylium bis(mu-2-chloro)-tetrachloro-di-copper (BPYCCU)
  1057  (JSmol)              -219.9     -184.5       21.2   22.7   bis(Methylammonium) tetrachloro-copper(ii) (ZZZPMY13)
  1058  (JSmol)              -428.2     -394.7       13.5   58.8   bis(beta-Alaninium) tetrachloro-copper(ii) (BEHXIV)
  1059  (JSmol)              -425.2     -332.7       35.7   39.0   Biquanidinium hexachloro-copper(ii) dihydrate (FOWCUP)
  1060  (JSmol)              -436.0     -417.6       33.4   67.2   (15-Crown-5)-diaqua-cobalt tetrachloro-copper(ii) (JUSGAF)
  1061  (JSmol)              -211.5     -241.3       17.8   18.0   Copper trihydroxide nitrate (Cu2(OH)3(NO3)) (ICSD 201478)
  1062  (JSmol)              -256.1     -269.3       29.7   23.2   Malachite (Cu2CO3(OH)2)
  1064  (JSmol)              -201.1     -217.7       13.6   21.3   Atacamite (Cu2Cl(OH)3)
  1065  (JSmol)               -90.4     -155.6       37.2   18.6   bis(Trimethylammonium) decachlorotetracopper(ii) (MEAMCU10)
  1066  (JSmol)              -383.6     -387.2       17.6   18.2   Azurite ((CuO)3(CO2)2(H2O))
  1071  (JSmol)  -153.4      -135.3        -.-       26.9    -.-   Zinc hydroxide (Zn(OH)2)
  1078  (JSmol)              -157.3     -142.4       23.9   21.5   4,4'-Bipyridinium tetrachloro-zinc (CIQXAB)
  1080  (JSmol)              -188.4     -136.9       20.1   16.2   hexakis(Acetonitrile)-vanadium(ii) tetrachloro-zinc (CUPYER)
  1082  (JSmol)              -425.2     -436.0       11.2   16.4   Hemimorphite (H2Zn2SiO5)
  1084  (JSmol)              -450.2     -421.2       22.4    9.9   Tarbuttite (Zn2(PO4)(OH))
  1085  (JSmol)             -1541.6    -1522.6       21.7   20.2   Zinc cyclooctaphosphate hydrate (Zn2P4O12 9(H2O))
  1086  (JSmol)              -764.8     -844.2        8.8   19.2   Hydrozincite (Zn5(CO3)2(OH)6)
  1087  (JSmol)             -1035.5    -1176.3       13.0   29.9   Sclarite (Zn7 (OH)10 (CO3)2)
  1090  (JSmol)              -363.0     -345.2       14.4   12.2   tris(Acetylacetonato)-gallium(iii) (ACACGA)
  1091  (JSmol)              -554.7     -453.8       31.2   30.1   tris(Guanidinium) hexafluoro-gallium (BUYFOQ01)
  1092  (JSmol)              -719.5    -1064.1       14.1   43.0   catena-(1,3-Propanediammonium (mu-2-fluoro)-bis(mu-2-hydrogen phosphato)-gallium) (EDEPOS)
  1093  (JSmol)              -115.1     -104.9       28.0   17.2   Gallium(i) bis(1,3,5-trimethylbenzene) tetrachloro-gallium(iii) (CUPJUS)
  1094  (JSmol)              -107.4      -96.1       32.2   19.9   bis((mu-2-Chloro)-trans-chloro-methyl-gallium) (ICOHIR)
  1097  (JSmol)              -854.4    -1824.2       18.4   76.2   catena-((mu-6-Ethylenediphosphonato)-trans-bis(mu-2-fluoro)-diaqua-di-gallium monohydrate) (XUWVEQ)
  1098  (JSmol)              -322.7     -304.1       26.8   26.2   (Ethylenediamine)-tetrahydroxy-germanium(iv) (NOHHIC)
  1099  (JSmol)              -245.1     -240.1       17.4   17.9   1-Fluoro-2,8,9-trioxa-5-aza-1-germatricycloundecane (GAQMEQ01)
  1100  (JSmol)                21.1       28.8       16.6    7.6   7,7,14,4-Tetramethyldinaphtho-di-germanium (YIHWOB)
  1101  (JSmol)              -425.8     -433.8       26.9   18.5   Biguanidinium hexafluoro-germanium (NEQFUL)
  1102  (JSmol)                33.4       36.2       33.8   14.8   Dimethylgermanium dicyanide (DMCYGE)
  1103  (JSmol)               -16.4       -3.3       10.4   12.3   Dodecamethyl-cyclohexagermane (DOMEGE)
  1108  (JSmol)                79.0       93.4       29.3   40.7   Germanocene (CEGTOX)
  1109  (JSmol)              -315.9     -301.6       28.6   24.5   Tetrafluoro-(1,2-bis(dimethylamino)ethane)-germanium(iv) (DITCAL)
  1110  (JSmol)              -263.8     -271.1       18.2   20.1   trans-Tetrafluoro-bis(pyridine)-germanium(iv) (HUMCOH01)
  1111  (JSmol)               -67.7      -85.1       27.5   29.0   bis(Ethylenediammonium) bis((mu-2-sulfido)-disulfido-germanium) (WADWEE)
  1112  (JSmol)              -243.8     -179.4       38.0   34.9   1,4-Dioxane dichloro-germanium (DIOXGC03)
  1113  (JSmol)              -191.5     -132.8       26.1   15.4   Tetramethylammonium trichloro-germanium(ii) (TMACGE20)
  1115  (JSmol)              -100.9      -94.9        7.1    5.7   hexakis(mu-2-Sulfido)-tetrakis(t-butyl-germanium) (JORPAH)
  1117  (JSmol)              -704.4     -680.1       14.2    9.7   catena(bis(Methylammoninum) decaoxadigalliumtrigermanate) (FIGQIV)
  1124  (JSmol)              -445.1     -440.3       26.7   25.5   Oxonium hexafluoroarsenate(V) (AsF6 (H3O)) (ICSD 61236)
  1125  (JSmol)              -771.6     -713.1       26.4   66.8   Sodium hydrogen arsenate heptahydrate (Na2HAsO4 7(H2O))
  1126  (JSmol)               -12.8      -16.3       24.4   28.6   2,4,6-Trimethyl-2,4,6-triarsa-1,3,5-trithiacyclohexane (JEGDAA)
  1127  (JSmol)               -10.4        2.2       30.0   22.0   Dimethylarsino dimethyldithioarsinate (DMSARS01)
  1129  (JSmol)               -68.3      -55.1       31.9   27.2   tris(Ethylenediammonium) bis(cyclo-hexathioarsenate(iii)) ethylenediamine solvate (DAKKIJ)
  1130  (JSmol)               -58.9      -65.1       26.3   33.5   2-Chloro-1,3,6,2-trithia-arsocane (CTRTAS)
  1133  (JSmol)              -532.9     -480.0       10.1   14.5   tris(Ethylenediamine)-cobalt(iii) arsenate trihydrate (BIRSUO)
  1134  (JSmol)              -158.9      -53.6       20.4   40.0   Tris(ethylenediamine)-cobalt(iii) tetrathioarsenate(v) (GEPGEO)
  1135  (JSmol)              -246.9     -181.4       11.6    0.6   Adamite (Zn2(AsO4)(OH))
  1140  (JSmol)              -305.5     -385.0       24.0   30.3   Potassium dihydrogen arsenate (KHAs2O6)
  1141  (JSmol)              -726.4     -760.6       17.1   16.7   bis((h5-Cyclopentadienyl)-(mu-2-fluoro)-(pentafluoro-arsenic))-vanadium(iv) (VUFFIL)
  1142  (JSmol)              -949.7        -.-       57.0    -.-   Erythrite (Co3(AsO4)2 8(H2O))
  1143  (JSmol)              -831.7     -653.6       27.5   65.8   Annabergite (Ni3(AsO4)2 8(H2O))
  1144  (JSmol)              -456.3     -495.1       20.5   28.8   H5As3O10
  1145  (JSmol)               -31.5     -145.7       39.1   60.0   7-Methyl-1,3,5-triarsa-2,4,9-trithia-adamantane (MARSTA)
  1147  (JSmol)              -382.3     -325.5       37.6   33.2   1,3-Propylenediammonium selenite dihydrate (BAYCEK)
  1148  (JSmol)              -390.3     -350.0       36.9   30.7   Diglycine selenate (DGLYSE)
  1150  (JSmol)              -167.5     -101.8       53.3   36.6   Guanidinium hydrogenselenate (HESNAV01)
  1151  (JSmol)              -144.1      -90.8       18.5   23.8   Selenic acid (H2SeO4) (ICSD 38432)
  1157  (JSmol)               -52.5      -43.5       26.4   22.1   Diseleno-bis(formamidinium) dichloride (SEFORC10)
  1158  (JSmol)              -182.4     -146.1       31.6   25.0   Dioxane-seleninyl-dichloride (DOXSEC)
  1162  (JSmol)               -81.4      -36.0       13.7   19.5   bis(Tetra-n-butylammonium) hexaselenide (CAHJUQ)
  1163  (JSmol)              -207.4     -168.4       15.6   22.8   tris(Selenourea) dichloride monohydrate (SECLUR)
  1165  (JSmol)                33.8      -27.3       32.3   42.1   Tetraselenonaphthalenium chloride (VAMZEO)
  1166  (JSmol)               -67.2       13.1       46.9   16.3   bis(Tetramethylammonium) pentaselenide (ZAZCIM)
  1167  (JSmol)              -461.8     -643.7       24.1   46.8   bis(15-Crown-5-sodium) bis(tetraselenido)-zinc (SAMZUB)
  1168  (JSmol)               -89.9      -93.2       10.8   19.8   bis(Tetra-n-propylammonium) spiroundecaselenide (SOMWIA)
  1169  (JSmol)   -64.7       -67.7     -100.6       23.0   46.4   Ammonium bromide (NH4Br) (ICSD 43300)
  1170  (JSmol)              -228.1     -196.0       15.4   17.0   Ethyl magnesium bromide diethyletherate (EMGBRE10)
  1171  (JSmol)              -147.2     -164.4       22.5   47.5   Hydrogen bromide dihydrate (HBr (H2O)2) (ICSD 34105)
  1172  (JSmol)              -145.5     -148.0       26.3   29.2   L-Argininium bromate (JAXFOE)
  1174  (JSmol)              -248.2     -248.6       16.8   11.7   Munchnone (BFAXZO)
  1177  (JSmol)              -418.9     -459.0       15.8   20.9   Tetrodotoxin hydrobromide (TETXHB)
  1178  (JSmol)   -90.6       -88.7      -93.7       28.5   25.0   p-Bromobenzoic acid (BRBZAP01)
  1179  (JSmol)   -30.5       -51.1      -29.9       16.4   25.3   Phosphonium bromide (PH4Br) (ICSD 031149)
  1180  (JSmol)   -30.5       -51.1      -29.9       15.7   23.9   Phosphonium bromide (PH4Br) (ICSD 1622038)
  1182  (JSmol)               -85.5      -81.5       25.8   20.1   V (BOQWIN)
  1187  (JSmol)               -83.6      -81.4       34.1   36.5   Copper(i) diammine bromide (Cu(NH3)2Br) (ICSD 170947)
  1188  (JSmol)              -225.1        -.-       20.1    -.-   Trans Cu DiGly (IWUBEH)
  1189  (JSmol)               -50.9      -23.6       11.4    6.7   tetrakis((mu-3-Bromo)-triethylamino-copper) (DEWKEV)
  1193  (JSmol)                24.9      -39.1       14.7   10.6   Dibromo-tetrakis(pyridine)-magnesium pyridine solvate (MGPPYD)
  1194  (JSmol)              -943.4     -924.2       26.3   34.2   Hexa-aqua-magnesium(ii) 18-crown-6 dibromide dihydrate (IFOYAE)
  1197  (JSmol)              -666.2     -625.5       21.9   18.1   bis((mu-2-N,N-diethylcarbamato-O,O,O')-bromo-bis(tetrahydrofuran)-magnesium) (HOYVUM)
  1198  (JSmol)               -79.7     -136.5       20.7   66.1   bis(Acetonitrile)(dibromo)beryllium (PACGEH)
  1199  (JSmol)               -99.2     -132.5       25.4   21.3   bis(Dibromo-(mu-2-dimethylamido)-aluminium) (YEFVIO)
  1200  (JSmol)              -226.1     -238.8       16.0   16.8   bis(Guanidinium) eosinate trihydrate (BOJFEM)
  1201  (JSmol)              -123.2     -110.8       17.6   22.2   Dibromo-bis(dimethyl sulfide)-beryllium (YEQWUN)
  1202  (JSmol)               -53.3      -51.2       18.8   18.1   XIII 1,3-dibromo-2-chloro-5-fluorobenzene
  1204  (JSmol)              -365.9     -338.2       19.9   14.9   Dibromo-tetrakis(tetrahydrofuran)-calcium naphthalene solvate (NITPUC)
  1207  (JSmol)              -126.4      -87.5        6.8   13.6   tetrakis(mu-2-Bromo)-bis((h5-ethyltetramethyl-cyclopentadienyl)-vanadium(iii)) (NAJXUR)
  1208  (JSmol)               -57.1      -94.2       12.0   15.3   Bromo-tris(2-dimethylaminoethyl)amine-manganese(ii) (DAEAMN)
  1210  (JSmol)              -331.5     -355.3       22.2   20.0   bis(Triethyleneglycol-O,O')-manganese(ii) dibromide (BOTHIC)
  1211  (JSmol)              -126.4      -81.9       12.8   21.2   Bromo-tris(2-dimethylaminoethyl)amine-iron(ii) (DAEAFE)
  1215  (JSmol)              -340.6     -317.2       32.1   36.7   Copper(II) bromide, tetrahydrate (CuBr2 4(H2O)) (ICSD 67555)
  1216  (JSmol)              -421.5     -443.1        4.1   35.9   Copper(II) hexaquo bromate (Cu(H2O)6 BrO3) (ICSD 1402205)
  1218  (JSmol)               -44.4      -46.0       43.3   36.6   Dibromo-(2-(2-aminoethyl)pyridine) copper(ii) (BAEPYC)
  1219  (JSmol)               -94.1      -40.9       11.8   14.9   Dibromo-(N,N,N',N'-tetramethylethylenediamine) copper(ii) (BTMECU)
  1220  (JSmol)               -48.4      -29.2       13.7   15.1   bis(mu-2-Bromo)-bis(bromopyridine-copper(ii)) (BPYRCU)
  1222  (JSmol)               -80.0      -85.4       14.6   18.9   Gallium(i) hexamethylbenzene tetrabromo-gallium(iii) (CEFSEL)
  1223  (JSmol)               -62.5      -83.5       23.2   66.1   bis(Dibromo-pyridine-gallium) (BAWVEA)
  1225  (JSmol)    13.8         2.3      -44.5       21.9   17.6   246-Tribromoaniline (BRANIL)
  1228  (JSmol)              -387.2     -395.9       28.4   28.7   bis(mu-2-Bromo)-bis(1,2-bis(methoxyethoxy)ethane)-di-magnesium bis(mu-2-methyl)-tetrabromo-di-magnesium (OKUTAP)
  1236  (JSmol)              -268.7     -271.4       12.8   30.0   Tribromo-(15-crown-5)-arsenic (JIGSUN)
  1237  (JSmol)              -110.3     -116.0       24.9   19.8   Tribromo-(trimethylarsane)-gallium(iii) (TINJEG)
  1239  (JSmol)              -138.8      -77.2        5.6   12.2   bis(Tetramethylammonium) tetrabromo-manganese (VANPEF01)
  1240  (JSmol)               -85.0     -166.4       54.5   53.5   4-Ethylpyridinium tetrabromoferrate(iii) (EPYMBF)
  1241  (JSmol)               -58.1     -133.1       39.4   79.5   2,2'-Bipyridinedi-ium tetrabromo-cobalt(ii) (BPYRBC11)
  1242  (JSmol)              -131.7     -111.4       31.6   31.6   bis(N,N,N',N'-Tetramethylguanidinium) tetrabromo-nickel (CEPXIF)
  1243  (JSmol)               -57.3      -57.5       31.6   43.7   bis(Pyridinium) tetrabromo-copper(ii) (BACHIX)
  1244  (JSmol)               -52.1     -110.6       27.3   23.1   2,2'-Bipyridinedi-ium tetrabromo-zinc(ii) (AGEXAM)
  1245  (JSmol)              -168.8     -267.5       18.5   36.7   bis(Guanidinium) tetrabromo-zinc(ii) (BEYNUO)
  1246  (JSmol)              -152.7     -159.7        8.5   11.6   bis(Tetramethylammonium) tetrabromo-zinc(ii) (CEKLOT01)
  1247  (JSmol)              -120.3     -105.1       13.4   23.9   Tetrabromo-(1,2-bis(dimethylamino)ethane)-germanium(iv) (DITCUF)
  1249  (JSmol)              -134.2     -211.4       28.2   33.7   trans-Dibromo-tetrakis(acetonitrile-N)-vanadium(iii) tribromide (DUSGED)
  1250  (JSmol)              -189.5     -152.1        9.7   10.6   tris(Tetramethylammonium) (mu-2-bromo)-bis(dibromo-copper(i)) (CUPHEA)
  1251  (JSmol)              -150.7     -256.0       27.8   34.8   bis(Morpholinium) bis(mu-2-bromo)-octabromo-di-selenate(iv) (RAFYUS)
  1253  (JSmol)              -128.1     -327.7       30.1   52.2   Aminoguanidinium hexa-bromo-copper(ii) (TIVJEN)
  1254  (JSmol)               -96.2     -222.7       11.0   15.9   Bis(1,4-Diazoniabicyclo(2.2.2)octane) bis(1-aza-4-azoniabicyclo(2.2.2)octane) tetrakis(tribromide) dibromide (DAHGUO)
  1255  (JSmol)               -52.4     -129.3       17.9   27.9   bis(N-Methyl-2-bromothiazolidinium) hexabromoselenate (POYLAQ)
  1256  (JSmol)              -249.4     -289.4        8.3   17.3   bis(Tetra-n-propylammonium) tetrakis(mu-2-bromo)-hexabromo-triselenate(ii,iv,ii) (JAMBAA)
  1259  (JSmol)              -422.0     -393.1       22.4   33.7   (Cyclopentadienyl)-(18-crown-6)-rubidium dimethoxyethane solvate (QEXTIW)
  1260  (JSmol)              -318.2     -293.3       23.7   23.6   (Diphenylmethanide)-(18-crown-6)-rubidium (UNIJIK)
  1264  (JSmol)   -27.0       -40.7      -65.8       34.8   48.0   Rubidium amide (RbNH2) (ICSD 50484)
  1265  (JSmol)  -100.1       -99.4      -78.2       59.6   57.5   Rubidium deuteriooxide (RbOD) (ICSD 60974)
  1266  (JSmol)               -97.6      -78.2       50.5   53.7   Rubidium deuteriooxide (RbOD) (ICSD 60976)
  1267  (JSmol)              -249.9     -179.8       27.8   32.0   Rubidium dihydrogenphosphate (RbH2PO4) (250131)
  1268  (JSmol)              -175.7     -139.4       35.0   49.2   Rubidium formate (RbHCO2) (ICSD 172203)
  1269  (JSmol)              -189.5     -153.5       30.7   49.9   Rubidium hydroxide hydrate (RbOH (H2O)) (ICSD 47115)
  1273  (JSmol)  -277.0      -275.9     -250.7       20.9   51.6   Rubidium hydrogen sulfate (RbHSO4) (ICSD 36326)
  1277  (JSmol)             -1414.2    -1273.3       21.8   29.8   Rubidium chromium alum (RbCr(III)(SO4)2 12(H2O))
  1278  (JSmol)              -458.6     -416.7       14.4   22.2   bis((18-Crown-6)-rubidium) bis(mu-2-chloro)-tetrachloro-di-copper (JUMJEG)
  1279  (JSmol)              -522.5     -488.4       19.7   21.9   (18-Crown-6)-diaqua-bromo-rubidium(i) (XAJXUD)
  1282  (JSmol)              -395.2     -344.0       29.0   53.6   Dirubidium oxalate hydrate (Rb2C2O4 H2O) (ICSD 240494)
  1290  (JSmol)              -484.8     -487.0       22.0   16.1   (18-Crown-6)-bis(nitrato-O,O')-strontium (JAWWAF)
  1291  (JSmol)             -1199.3    -1162.3       24.6   24.7   18-Crown-6-bis(hexafluoro-acetylacetonato)-strontium (QUGTIW)
  1296  (JSmol)  -333.0      -332.7     -297.9       35.9   34.0   Strontium formate (SrC2H2O4) (ICSD 249198)
  1297  (JSmol)              -316.4     -264.1       40.6   40.7   Strontium hydroxide hydrate (Sr(OH)2 (H2O)) (ICSD 63016)
  1298  (JSmol)  -229.2      -236.1     -192.1       48.4   52.7   Strontium hydroxide(Sr(OH)2) (ICSD 1415801)
  1303  (JSmol)              -520.7     -474.4       21.8   17.0   bis(Dimethyl malonato)-(pentamethyldiethylenetriamine)-strontium (OFULOQ)
  1304  (JSmol)             -1420.9    -1781.8       30.0   53.6   catena-((Ethylenediammonium) tetra-aqua-octaoxo-tetraoxa-tetraphosphacyclo-octane-strontium monohydrate) (VABFEJ)
  1305  (JSmol)             -1188.2    -1074.7       28.9   19.7   catena-((mu-3-3-Carboxy-4-hydroxybenzenesulfonato-O,O',O'')-(3-carboxy-4-hydroxybenzenesulfonato)-tetra-aqua-strontium(ii) dihydrate) (YAMNUW)
  1306  (JSmol)              -552.8     -483.4       31.9   23.9   catena-((mu-6-D,L-Homocysteic acid)-aqua-strontium chloride) (NARZEM)
  1308  (JSmol)              -692.3     -626.5       36.6   37.3   bis(Glycine) strontium dichloride trihydrate (GLYSRC10)
  1309  (JSmol)              -828.3     -756.0       25.2   16.6   catena-((mu-2-Galactitol)-tetra-aqua-strontium dichloride) (AKOSAU)
  1310  (JSmol)              -559.3     -502.6       39.9   33.2   catena-((mu-3-L-alanine-O,O,O',O')-chloro-triaqua-strontium chloride) (BOPYOV)
  1311  (JSmol)              -811.8     -696.2       10.2   14.2   tetrakis(Biuret) strontium(ii) perchlorate BIURSR)
  1314  (JSmol)              -557.2     -519.4       32.4   20.4   Triaqua-bromo-(12-crown-4)-strontium bromide (WOZHUO)
  1319  (JSmol)             -1151.3    -1204.5       13.6   46.1   Hexa-aqua-bis(2-naphthalenesulfonato-O)-yttrium(iii) 2-naphthalenesulfonate trihydrate (GAKZAT)
  1321  (JSmol)             -1427.8    -1477.5       19.3   26.6   Nona-aqua-yttrium(iii) tris(ethyl sulfate) (AYETHS01)
  1322  (JSmol)             -1664.1    -1839.4       14.6   83.2   Tri-sodium tris(dipicolinato-N,O,O')-yttrium nonahydrate (YAWPUI)
  1324  (JSmol)              -585.5     -568.1       17.8   33.5   Y(III)((Me)6 Acac)3 (HAHTOZ01)
  1327  (JSmol)              -649.1     -814.6       13.8   57.2   catena-(Ammonium bis(mu-2-oxalato)-aqua-yttrium(ii)) (AYOXLH)
  1328  (JSmol)              -903.8     -892.2       15.2   16.1   tris(Guanidinium) difluoro-(ethylenediaminetetra-acetato)-yttrium(iii) monohydrate (JIJTIF10)
  1332  (JSmol)             -1173.3    -1384.3       11.1   44.1   Pentapotassium octakis(formato)-yttrium (CAVYUT)
  1333  (JSmol)              -197.5     -344.9       24.4   34.3   Dibromo-(N,N'-bis(2-(diethylamino)ethyl)pentane-2,4-di-iminato-N,N',N'',N''')-yttrium(iii) toluene solvate (EROZIU)
  1335  (JSmol)              -870.9     -896.0       24.7   24.9   hexakis(Trimethylphosphine oxide)-yttrium(iii) tribromide (MINPUU)
  1338  (JSmol)              -151.0     -512.3       18.1   33.5   bis((mu-2-Hydroxo)-bis(h5-cyclopentadienyl)-yttrium) diphenylacetylene (GAWLEV)
  1339  (JSmol)                19.0      -92.9       17.8   23.9   (mu-2-2,6-bis(h5-Cyclopentadienylmethyl)pyridine)-bis(2,6-bis(h5-cyclopentadienylmethyl)pyridine-N)-di-yttrium dichloromethane solvate (CAWQAT)
  1340  (JSmol)              -920.7    -1011.1       20.0   41.3   trans-Dichloro-pentakis(tetrahydrofuran)-yttrium(iii) trans-tetrachloro-bis(tetrahydrofuran)-yttrium(iii) (PEHJAN01)
  1342  (JSmol)              -619.5     -579.7       27.0   29.1   Ethylenediammonium bis(mu-2-fluoro)-decafluoro-di-zirconium (ENFZRA10)
  1349  (JSmol)              -572.6     -524.1       35.4   34.8   bis(Aminoguanidinium) hexafluoro-zirconate(iv) (KOJVAG02)
  1350  (JSmol)               -77.3      -35.4       22.7   17.7   bis(Tetramethylethylenediamine-lithium) hexamethyl-zirconium (JAMWOJ)
  1351  (JSmol)              -709.3     -611.4       33.2   35.7   tris(Guanidinium) heptafluoro-zirconium (DADVIN)
  1353  (JSmol)              -989.4     -985.4       22.9   26.2   bis(15-Crown-5-sodium) difluoro-tetrachloro-zirconium(iv) ((JAVKAS)
  1354  (JSmol)              -458.4     -359.0       23.0   13.7   bis(Tetraethylammonium) hexachloro-zirconium (JESFIW)
  1358  (JSmol)              -211.7     -213.2        8.7   33.0   tetrakis(Acetonitrile-N)-tribromo-zirconium (acetonitrile-N)-pentabromo-zirconium acetonitrile solvate (FINBEJ10)
  1359  (JSmol)              -471.2     -497.1       23.5   29.4   1-Ethyl-3-methylimidazolium hexafluoroniobate-(MESBIW)
  1360  (JSmol)              -804.5     -693.0       18.8   44.5   18-Crown-6-oxonium hexafluoroniobate (SINSAK)
  1361  (JSmol)              -894.1     -850.8       18.8   16.2   Ammonium diaqua-oxo-bis(oxalato-O,O')-niobium(v) trihydrate (AMOXNB)
  1367  (JSmol)             -1452.8    -1405.7       11.4   28.0   Trityl hexakis(pentafluorophenoxy)-niobium (QINKIH)
  1368  (JSmol)              -836.3     -841.5       24.4   21.3   bis(h5-Cyclopentadienyl)-(2,2'-bipyridyl-N,N')-niobium bis(hexafluorophosphate) (VOSXUW)
  1369  (JSmol)              -885.8     -904.5       21.8   23.8   catena-(bis(Ethane-1,2-diammonium) bis(mu-2-phosphato)-fluoro-oxo-niobium) (HEYBOD)
  1370  (JSmol)              -565.8     -410.4       15.3   24.2   tetrakis(1,3,4,6,7,8-hexahydro-2H-pyrimido(1,2-a)pyrimidin-1-yl)-niobium(v) hexafluorophosphate (POFHUO)
  1371  (JSmol)              -167.1     -141.4       29.2   25.9   tris(Diethyl ether)-lithium hexamethyl-niobium(v) (POZJAP)
  1372  (JSmol)              -220.4     -168.9       26.9   21.6   tris(Dimethylamino)cyclopropenylium hexachloro-niobium(v) (KOWGOS)
  1373  (JSmol)              -218.6     -184.1       16.2   28.6   (18-Crown-6-potassium) (h5-cyclopentadienyl)-(h7-heptatrienyl)-niobium (KOSMEK)
  1374  (JSmol)               -38.8     -119.6       18.2   26.8   tetrakis(N,N-Diethyldithiocarbamato-S,S')-niobium(v) bromide (DEDRAF)
  1380  (JSmol)              -622.0     -614.6       19.3   26.1   18-Crown-6 hydroxonium clathrate aqua-oxo-tetrachloro-molybdenum (JOKGOF01)
  1381  (JSmol)              -608.2     -532.2       42.5   45.4   Chloro-dinitroso-(1-thia-4,7-diazacyclononane-N,N',S)-molybdenum hexafluorophosphate (SAVNOS)
  1383  (JSmol)              -114.1     -145.5       18.4   15.0   Mo(IV)(CN)8 (PYCMOA)
  1387  (JSmol)              -291.5     -304.8       28.0   38.3   Molybdenum oxide dihydrate(MoO5H4)
  1394  (JSmol)              -154.2     -142.5       15.1   12.3   Tetra-n-butylammonium h5-cyclopentadienyl-tricarbonyl-molybdenum (BATCOM)
  1395  (JSmol)              -717.2     -855.2       15.7   51.7   Tri-sodium hexakis(formato-O)-molybdenum(iii) (GICNAH)
  1396  (JSmol)               -66.5      -51.7       19.1   10.8   Trichloro-tris(pyridine) molybdenum (CLPYMO10)
  1397  (JSmol)              -329.5     -295.3       10.6   12.4   Trichloro-tris(urea)-molybdenum (BOHYEC)
  1398  (JSmol)              -312.0     -281.9       22.7   22.9   bis(Guanidinium) orthomolybdate (BAGPEE)
  1399  (JSmol)               -88.9      -72.6       34.9   27.8   bis(Methylammonium) tetrathiomolybdate(vi) (ADEGEW)
  1400  (JSmol)              -409.7     -263.2       59.7   19.8   bis(Morpholinium) diaqua-hexachloro-di-molybdenum(ii) (BELWAQ)
  1401  (JSmol)              -314.8     -290.5       15.7   25.6   bis(Propane-1,3-diammonium) octachloro-di-molybdenum tetrahydrate (ZAXLIT)
  1402  (JSmol)               -86.4     -102.6       14.2    8.6   bis(Triethylammonium) bis(mu-2-sulfido)-(ethane-1,2-dithiolato-S,S')-disulfido-di-molybdenum(v) (DOLPAV)
  1403  (JSmol)               -16.2      -14.6        9.2   13.4   bis(Triethylammonium) dioxonium octacyano-molybdenum(iv) (TEAMOC)
  1404  (JSmol)              -400.0     -480.1       18.5   24.7   bis(p-Cyclopentadienyl)hydroxy-methylamino molybdenum(iv) hexafluorophosphate (CHAMOF)
  1405  (JSmol)              -444.2     -474.5       14.0   15.9   p-Cycloheptatrienylium-tricarbonyl-molybdenum(0) tetrafluoroborate (CYHMOC10)
  1406  (JSmol)              -203.4     -236.8       27.9   45.1   tetrakis(mu-2-Acetato)-di-molybdenum (MOLACE02)
  1412  (JSmol)              -357.8        -.-       68.1    -.-   bis(Morpholinium) diaqua-hexabromo-di-molybdenum(ii) (BELWEU)
  1413  (JSmol)              -550.6     -564.0       18.3   79.1   Oxonium aqua-tetrabromo-oxo-molybdenum 18-crown-6 (KUZTII)
  1415  (JSmol)              -317.5     -301.2       23.7   57.0   tris(Pyridinium) tris(mu-2-chloro)-bis(trichloro-molybdenum(iii)) (DISNAU)
  1416  (JSmol)              -520.9        -.-       27.8    -.-   Potassium (mu-2-acetato-O,O')-bis(mu-2-hydroxo)-(mu-2-N,N,N',N'-ethylenediaminetetra-acetato-N,N',O,O',O'',O''')-di-molybdenum(iii) bis(molybdenum(iii)) (HAENMO)
  1417  (JSmol)             -2190.4    -2154.1       12.7   11.6   Keggin (PIJFUJ)
  1421  (JSmol)              -137.7     -148.6       25.0   27.6   Tetramethylammonium pertechnetate (DUGNEY10)
  1422  (JSmol)              -893.2     -723.5       20.4   30.1   bis(1,4,7-Trithiacyclononane-S,S',S'')-technetium bis(tetrafluoroborate) acetonitrile solvate (WACXIH)
  1423  (JSmol)              -228.4     -169.5       22.3   31.3   bis(Trichloro-tris(dimethylsulfoxide)-technetium(iv)) hexachloro-technetate(iv) (JEPQOL)
  1424  (JSmol)              -449.1     -494.3       31.7   35.2   trans-Dichloro-tetrakis(trimethylphosphine)-technetium(iii) hexafluorophosphate (QESMOQ)
  1425  (JSmol)              -736.0     -785.1       15.6   11.2   tris(2,2-Bipyridyl)-technetium(ii) bis(hexafluorophosphate) (SUDZOG)
  1426  (JSmol)              -203.5     -158.9       24.4   55.4   fac-Tricarbonyl-(1,4,7-trithiacyclononane)-technetium(i) bromide (NUMRES)
  1427  (JSmol)              -182.1     -100.3       30.1   32.6   Tetrabutylammonium pentabromo-(tetrahydrothiophene)-technetate(iv) (WAJFUJ)
  1428  (JSmol)              -138.4     -165.9       28.4   34.2   (3,6-Dimethyl-3,6-diazaoctane-1,8-dithiolato-N,N',S,S')-oxo-technetium(v) pertechnetate (GEBLOO)
  1429  (JSmol)             -1113.3    -1191.6       20.7   40.8   Tetra-potassium bis((mu-2-oxo)-bis(oxalato-O,O')-technetium(iv)) trihydrate (SOSSAU)
  1430  (JSmol)              -910.2    -1026.8       41.2   30.1   (Dibenzo-18-crown-S6)-ruthenium bis(hexafluorophosphate) nitromethane solvate (SIJVAI)
  1435  (JSmol)              -575.4     -668.1       29.8   27.7   bis(1,4,7-Trithiacyclononane-S,S',S'')-ruthenium bis(trifluoromethanesulfonate) (FENDUX)
  1436  (JSmol)              -420.0     -319.2       17.1   21.2   bis(1,4-bis(1-Azonia-3-azacyclohexen-2-yl)benzene) hexacyano-ruthenium(ii) octahydrate (WUGSEW01)
  1437  (JSmol)              -162.8     -153.6       16.8   29.8   catena-(bis(2-Amino-6-methylpyridine) hexakis(mu-2-chloro)-potassium-ruthenium(iii)) (SIBPOJ)
  1438  (JSmol)              -668.3       25.2       29.0   79.9   cis-Difluoro-bis(1,2-bis(dimethylphosphino)ethane)-ruthenium hydrofluoride (QIWPUH)
  1439  (JSmol)              -495.1     -503.2       26.9   14.5   hexakis(Imidazole)-ruthenium(ii) bis(trifluoromethanesulfonate) (BIXCEQ)
  1440  (JSmol)              -688.8     -709.9       27.9   25.9   hexakis(Thiourea-S)-ruthenium(ii) bis(trifluoromethanesulfonate) (SIZZAC)
  1441  (JSmol)               -95.4     -148.9       20.6   18.4   meso-bis(1,4,7-Trithiacyclodecane)-ruthenium(ii) diperchlorate (TAZWOG)
  1442  (JSmol)              -362.7     -235.0       36.0   34.6   tetrakis(Dimethylammonium) hexachloro-ruthenium(iii) chloride (ENIDAG)
  1443  (JSmol)              -768.3     -815.3       22.0   17.7   tris(2,2'-Bipyridine)-ruthenium(ii) bis(hexafluorophosphate) (BPYRUF10)
  1445  (JSmol)              -135.2      -55.8       15.4   27.8   tris(1-Ethyl-3-methylimidazolium) tris(mu-2-bromo)-bis(tribromo-ruthenate(iii)) (DIVGOE10)
  1451  (JSmol)              -257.6     -137.7       30.2   37.8   bis(Dimethylglyoximato)diammine-rhodium(iii) bis(dimethylglyoximato) dichloro-rhodium(iii) tetrahydrate (ACGXRH)
  1452  (JSmol)              -928.8     -714.3       25.1   25.8   bis(mu-2-Hydroxo)-octa-aqua-di-rhodium(iii) tetrakis(mesitylsulfonate) octahydrate (VIPHAD01)
  1453  (JSmol)              -375.9     -112.0       47.2   35.4   tris(Guanidinium) hexachloro-rhodium(iii) monohydrate (NAMLES)
  1455  (JSmol)              -157.3     -114.9       19.7   41.2   tris((+-)-2,3-Butanediamine)-rhodium(iii) tribromide (CIFPOW)
  1456  (JSmol)              -261.5     -632.6       20.8   86.6   bis(1,2-Diammonioethane) hexabromo-rhodium(iii) bromide monohydrate (ZOKHEM)
  1458  (JSmol)                97.0      -20.9       24.9   74.3   Tetrathiacyclotetradecane-S,S',S'',S''')-rhodium(i) chloride acetonitrile solvate (DAHHEZ)
  1459  (JSmol)              -396.3     -201.3       15.4   66.7   tris(mu-2-Chloro)-bis((h5-pentamethylcyclopentadienyl)-rhodium(iii)) tetrafluoroborate (ASUKOO)
  1460  (JSmol)                52.5       51.0       17.9   89.9   Bromo-methyl-bis(carbonyl-cyclopentadienyl-rhodium) (MLDRHB10)
  1461  (JSmol)                25.6       48.1        7.9   33.9   Ammonium bis(1,2-dicyanoethylene-1,2-dithiolato-S,S')-palladium monohydrate (SAHFOW)
  1462  (JSmol)              -128.2     -110.3       59.0   28.4   Diammonium bis((mu-2-carbonyl)-dichloro-palladium(i)) (LUPHOT)
  1463  (JSmol)               -31.5      110.9       27.5   20.6   Diethylammonium tetracyanopalladate (EATCPD)
  1469  (JSmol)              -717.2     -708.1       28.1   62.5   Potassium bis(oxalato-O,O')-palladium(ii) tetrahydrate (POXPDH)
  1471  (JSmol)              -205.8     -172.5       30.9   24.5   Tetra-azacyclotetradecane-palladium(ii) diperchlorate (BUXSIW10)
  1472  (JSmol)              -734.7     -642.7       23.3   21.8   Tetrakis(Acetonitrile)-palladium(ii) bis(tetrafluoroborate) (KUXSIF)
  1473  (JSmol)              -153.8     -130.3       42.3   29.5   bis(Guanidinium) tetrachloro-palladium(ii) (DILJEN)
  1474  (JSmol)              -121.6      -94.5       28.2   13.4   bis(Imidazolium) tetrachloro-palladium(ii) (RORVOJ)
  1475  (JSmol)              -242.9     -193.0       26.1   21.1   tris(Trimethylammonium) tetrachloro-palladium chloride (BIJNIR)
  1477  (JSmol)              -117.9     -137.3       16.3   20.9   bis(Dimethylammonium) tetrabromo-palladium(ii) (FETHOB)
  1478  (JSmol)              -637.6     -630.1       25.0   16.8   Deca-azonia-30-crown-10 tetrachloro-palladium(ii) clathrate bis(tetrachloro-palladium(ii)) tetrachloride (JEJHIP10)
  1479  (JSmol)              -154.7     -558.5       39.8   53.9   (1,1,3,3-Tetraoxo-1,3,2-benzodithiazolido)-acetonitrile-silver(i) (WAKMAW)
  1480  (JSmol)              -179.2     -597.2       77.9   85.1   (2,2'-Bipyridine-N,N')-(trifluoroacetato-O)-silver(i) (MAYBAQ)
  1481  (JSmol)               -58.5     -472.7       23.7   70.0   (6-Methyl-2-pyridinecarboxylato-N,O)-(6-methyl-2-pyridinecarboxylic acid-N,O)-silver(i) (UBEGOX)
  1482  (JSmol)              -421.2     -852.4       74.5   87.1   (Hexafluoroacetylacetonato)-bis(trimethylphosphine)-silver (LEFWIC)
  1483  (JSmol)                84.4     -379.3       29.3   81.6   (Nitrato-O)-bis(pyridine-4-carbonitrile-N)-silver(i) (FOHJIV)
  1484  (JSmol)               -52.7     -510.5       36.9   96.7   (mu-2-Phthalato-O,O')-diammine-di-silver(i) (RABVUL)
  1485  (JSmol)              -340.6    -1065.4       74.7   92.7   Acetonitrile-perfluoroisopropyl-silver (DUJXEL)
  1486  (JSmol)                -0.3     -387.0       40.5   72.1   Ammine-(2,2'-bipyridine)-silver(i) nitrate (KUQPOC)
  1487  (JSmol)              -107.4     -661.8       75.2   82.1   Aqua-(4-chlorobenzoato-O)-silver(i) (RACZIF)
  1488  (JSmol)               127.8       85.3       23.6   36.2   Bis(cyanido)(ethane-1,2-diamine-N,N')silver(ii) (SILKEE)
  1489  (JSmol)               -14.5     -209.8       45.0   73.7   Chloro-trithia-9-crown-3-silver(i) (JAVWIM)
  1490  (JSmol)                46.7       12.2       48.2   51.7   Cyano-(ethane-1,2-diamine)-silver(i) (FILSEZ)
  1491  (JSmol)                38.4     -165.8       49.8   97.0   Cyano-bis(piperidine-N)-silver(i) (JEYDIB)
  1492  (JSmol)              -247.6     -385.0       65.5   85.4   Dinitrato-(2,2'-bipyridyl) silver(ii) (NDPYAG)
  1493  (JSmol)              -114.8     -471.0       21.9   66.7   Perchlorato-bis(1,4-oxathian)-silver(i) (CIJBIG)
  1498  (JSmol)                17.3     -592.6       49.1   85.7   Silver nitrate-pyrazine complex (AGPYRZ)
  1501  (JSmol)               -20.9     -513.3        0.4   52.6   bis(2-(Aminomethyl)pyridine-N,N')-silver(i) perchlorate (RAWTIT)
  1502  (JSmol)                67.6     -167.2       43.4   90.8   bis(2-Imidazolidinethione-S)-(thiocyanato-S)-silver(i) (SCYNAG01)
  1503  (JSmol)               -87.3     -458.6       53.9   65.3   bis(3-Hydroxypyridine-N)-(nitrato-O,O')-silver(i) (MAPNEX)
  1504  (JSmol)                -0.6     -292.5       42.7   90.6   bis(5,7-Dimethyl-1,8-naphthyridin-2(1H)-one)-di-silver(i) (HEVXOW)
  1505  (JSmol)              -277.5     -538.8       44.4   84.2   bis(Cyclo-octadiene)-silver(i) tetrafluoroborate (OCDAGB)
  1506  (JSmol)              -118.8     -615.2       68.8   89.6   bis(Dihydroxybenzoato)-di-silver(i) (KAMTUN)
  1507  (JSmol)              -341.8     -795.9       24.6   76.0   bis(Pyridine-2,6-dicarboxylato)-silver(ii) monohydrate (PYRCAG)
  1508  (JSmol)                 2.5     -234.8       28.0   91.5   bis(chloro-(1,3,4,5-tetramethylimidazol-2-ylidene)-silver(i)) (HEBMIL)
  1509  (JSmol)              -160.0     -419.5       94.0   92.6   bis(mu-2-2-Hydroxybenzoato-O,O')-di-silver(i) (KAMTOH03)
  1510  (JSmol)               -40.3     -495.9       71.0   76.4   bis(mu-2-6-Isopropyltropolonato-O,O')-di-silver(i) (IPACEH)
  1511  (JSmol)               -20.3     -256.3       66.4   96.2   bis(mu-2-Aminomethylnitrosolate)-di-silver(i) (KUXWAB)
  1512  (JSmol)              -120.3     -425.1       92.9   88.2   bis(mu-2-Benzoato-O,O')-di-silver(i) (BZOAGA)
  1513  (JSmol)              -121.0     -504.2       55.1   88.0   bis(mu-2-Triethyl betaine)-bis((nitrato)-silver(i)) (KUDKOJ)
  1515  (JSmol)              -142.5     -352.9       92.1   91.3   bis-(mu-2-2,6-Dihydroxybenzoato)-silver(i) (LAYCOD)
  1516  (JSmol)               -37.6       23.1       13.8   30.3   catena(bis(mu-2-Adiponitrile-N,N')-silver(i) perchlorate) (AGPADP)
  1517  (JSmol)               -69.1     -570.6       18.1   43.4   catena-((mu-3-cis,trans-1,3,5-Triaminocyclohexane)-silver(i) perchlorate) (ABIREJ)
  1518  (JSmol)                -0.7     -171.0       35.3   78.2   chloro-(1,3-bis(adamantyl)imidazol-2-ylidene)-silver(i) (HEBMUX)
  1519  (JSmol)                -1.5        -.-       81.4    -.-   cis,cis,cis-1,4,7-Cyclononatriene silver nitrate complex (CNTAGN10)
  1520  (JSmol)                 4.1     -490.8       59.8   75.5   di-pyridine-silver(i) perchlorate (NEVRAI)
  1522  (JSmol)              -408.8    -1227.7       43.4   92.1   Hexaoxacyclododecane-di-silver silver tris(hexafluoro-arsenic) (CADXOU)
  1523  (JSmol)              -666.5     -758.1       30.5   54.9   bis(Tetraoxacyclododecane)-silver hexafluoroarsenate (CIJWIB)
  1525  (JSmol)              -151.0    -1143.2       41.7   87.8   (5-Carboxy-1H-imidazole-4-carboxylato)-diammine-silver(i) (DUKMOM)
  1526  (JSmol)              -692.1    -1752.4       63.8   88.9   (Hexafluoroacetylacetonato)-trimethylphosphine-silver (LEFWEY)
  1527  (JSmol)              -152.2    -1227.0       47.9   93.8   (mu-2-Hydrogen 1H-imidazole-4,5-dicarboxylate-N,N')-bis(ammine)-di-silver(i) (DUKMOM01)
  1528  (JSmol)               111.1     -231.6       50.7   95.9   (mu-2-Propane-1,3-diamine)-dicyano-di-silver(i) (FILSOJ)
  1529  (JSmol)              -285.5    -1155.2       68.9   85.8   (tetrachlorophthalato)-ammine-silver diammine-silver monohydrate (RIVTUM)
  1533  (JSmol)              -209.7        -.-       59.9    -.-   Silver(i) syn-anti-methane-disulfonate (MEDSUL)
  1535  (JSmol)               111.6     -472.2       39.7   63.9   tetrakis(mu-2-1,3,4,6,7,8-Hexahydropyrimido(1,2-a)pyrimidinato)-tetra-silver(i) (UMIFEB)
  1537  (JSmol)               -68.5     -281.4       29.5   91.8   Tetramethylammonium catena-((mu-4-bromo)-bis(mu-2-bromo)-di-silver(i)) (FAGGOJ)
  1543  (JSmol)  -134.0      -134.1     -307.7       30.4   98.0   Cadmium hydroxide (Cd(OH)2)
  1549  (JSmol)              -363.3     -453.1       24.1   77.1   Potassium catena(tris(mu-2-formato)-cadmium) (CAHMUT)
  1550  (JSmol)              -464.3     -422.3       13.7   22.6   Potassium tris(acetylacetonato)-cadmium(ii) monohydrate (KACCDM)
  1551  (JSmol)              -445.0     -455.4       18.6   43.5   catena-(Imidazolium potassium bis(mu-2-oxalato)-cadmium) (MAZYER)
  1552  (JSmol)              -244.5     -285.9       22.6   18.9   catena-(Potassium (mu-4-2-ethylimidazole-4,5-dicarboxylato)-cadmium(ii)) (KOLXAL)
  1553  (JSmol)              -295.2     -363.4       16.7   47.9   catena-(tris(mu-2-Thiocyanato)-cadmium (18-crown-6)-potassium clathrate) (RAPVAF)
  1554  (JSmol)              -551.0     -701.0       57.3   50.5   bis(15-Crown-5-sodium) bis(tetraselenido)-cadmium (SANBEO)
  1556  (JSmol)              -492.0     -452.4       22.0   20.1   (18-Crown-6)-potassium bis(Chloro-(2,3,4,5-tetramethylphospholyl-P)-indium) (JEZDUN)
  1557  (JSmol)              -210.2     -166.6       11.9   21.1   (18-Crown-6)-potassium bis(pyridine)-tetrakis(isothiocyanato)-indium(iii) pyridine solvate (YUXXIY)
  1561  (JSmol)              -274.6     -234.6       18.5   16.3   Tetra-n-butylammonium tetrachloro-indium (BEFFOH)
  1562  (JSmol)             -1106.0    -1118.1       13.8   48.7   Tri-potassium bis(nitrilotriacetato)-indium(iii) pentahydrate (ZUFXAZ)
  1563  (JSmol)              -622.5     -592.6       16.3   24.5   catena-(Guanidinium bis(mu-2-sulfato-O,O')-diaqua-indium(iii)) (SISPOA)
  1564  (JSmol)              -643.5     -634.3       11.8   15.2   catena-(hexakis(mu-2-Oxalato)-hexa-aqua-tetra-indium tetradecahydrate) (BAPMIP)
  1565  (JSmol)              -444.3     -378.4       16.3   18.8   tetrakis(Dimethylammonium) hexachloro-indium(iii) chloride (FUVCAA)
  1566  (JSmol)              -512.0     -452.4       14.3    7.9   tris(Guanidinium) hexafluoro-indium(iii) (BUYFUW02)
  1567  (JSmol)             -1038.9    -1013.7       20.1   17.3   tris(Piperazinediium) bis(tris(pyridine-2,6-dicarboxylato-N,O,O')-indium(iii)) dodecahydrate (KEQGUJ)
  1568  (JSmol)               -28.9       71.9        7.5    6.5   tris(Tetraethylammonium) tris-(1,2-dicyanoethylene-1,2-dithiolato) indate(iii) (EACEIN)
  1571  (JSmol)               -16.4      -26.0       33.7   15.7   Dimethylindium bromide (DMINBR)
  1573  (JSmol)               -38.9      -61.9       13.2   18.2   Tribromo-tris(pyridine)-indium(iii) pyridine solvate (BEHWEQ)
  1574  (JSmol)              -220.2     -207.6       10.7   13.6   Tetra-n-butylammonium tetrabromo-indium (BEFGEY)
  1575  (JSmol)              -829.9     -760.4       23.9   20.1   catena-(Di-rubidium (mu-10-dihydrogen tetraphosphatodiborate)-di-indium) (MEQXAI)
  1577  (JSmol)              -535.6     -331.3       27.0   18.4   catena-(Di-n-propylammonium tris(mu-3-sulfido)-heptakis(mu-2-sulfido)-mercapto-hexa-indium) (JIWQUB)
  1578  (JSmol)              -387.0     -345.0       32.5   13.8   (Pentamethyl-cyclopentadienyl)-tin tetrafluoroborate (PMCPSN10)
  1579  (JSmol)              -533.7     -508.5       16.3   16.2   15-Crown-5 diaqua-tetrachloro-tin(iv) (FANRUH)
  1581  (JSmol)              -302.8     -299.5       24.8   18.2   Diammonium tetrafluoro-dimethyl-tin(iv) (LEVHUP)
  1582  (JSmol)              -576.5     -637.0       55.0   27.9   Potassium bis(oxalato)-tin(ii) monohydrate (KSNOXL)
  1590  (JSmol)              -580.8     -620.7       18.0   21.1   bis(3-Carboxyanilinium) hexafluorostannate(iv) (FICWAQ)
  1591  (JSmol)              -315.4     -256.7       18.9   16.0   bis(Trimethylammonium) hexachloro-tin(iv) (CADNOK)
  1592  (JSmol)              -437.9     -526.7       16.0   13.9   catena-(Diammonium (mu-2-methylenediphosphonato)-tin(ii)) (EQUWUI)
  1593  (JSmol)              -458.4     -384.1       33.1   15.2   catena-hexakis(mu-2-Chloro)-(h6-benzene)-dichloro-aluminium-tin benzene solvate (BENZSN10)
  1598  (JSmol)              -191.0     -216.4       14.2   23.8   bis(Dimethylammonium) hexabromo-tin(iv) (BUJPUR)
  1599  (JSmol)              -811.6     -755.2       13.2    9.4   Calcium bis(tris(acetato) tin(ii)) (TACSNC)
  1600  (JSmol)               -98.7      -68.8       21.1    8.1   Terpyridyl(dimethyl)chlorotin(iv) dimethyl(trichloro)stannate(iv) (SNTPYR10)
  1601  (JSmol)              -546.2     -526.2       23.2   49.0   bis(mu-2-hydroxo)-diaqua-hexachloro-tin(iv) benzene solvate monohydrate (GIMYEH)
  1602  (JSmol)              -196.2     -131.3       22.1   31.5   catena(bis(Tetraethylammonium) (mu-3-thio)-hexakis(mu-2-thio)-tri-tin(iv)) (GIRHIY)
  1603  (JSmol)              -370.0     -288.3        9.5   13.1   catena-(bis(Tetramethylammonium) (mu-3-sulfido)-hexakis(mu-2-sulfido)-tri-tin monohydrate) (YAZNOC)
  1604  (JSmol)              -592.3     -612.4       20.0   34.5   (Trifluoromethylsulfonic acid-O)-pentafluoro-antimony (SOVWEF)
  1605  (JSmol)              -264.4     -248.1       31.9   32.6   (mu-2-Pyrazine)-decafluoro-di-antimony (TUSBAK)
  1606  (JSmol)              -387.6     -383.5       34.2   37.2   1-ethyl-3-methylimidazolium hexafluoroantimonate (AQEYIE)
  1607  (JSmol)               -44.7      -47.6       19.2   27.5   2-Chloro-1,3-dithia-2-stibacyclopentane (CLSSBP10)
  1617  (JSmol)              -110.2      -75.8       26.4   34.7   Trichloro-(tetramethylthiourea)-antimony(iii) (BAHZUF)
  1618  (JSmol)              -475.5     -473.2       39.7   39.9   beta-Alaninium EDTA-antimonate(iii) (BAWQIZ)
  1619  (JSmol)              -484.4     -416.5       31.8   42.7   bis(Guanidinium) sulfato-trifluoro-antimony(iii) (BEYXAE)
  1620  (JSmol)              -405.5     -515.5       43.8   31.2   catena-(Butane-1,4-diammonium (mu-2-1-hydroxyethyldiphosphonato)-antimony(iii)) (AHEKED)
  1621  (JSmol)              -163.8      -91.9       24.5   20.3   catena-(tris(1,2,4-triazolium) (mu-2-chloro)-tetrachloroantimonate(iii) chloride)(AFEVEM)
  1622  (JSmol)                 9.0      -18.6       17.0   14.9   tris(1-Pyrrolidinecarbodithioato)-antimony(iii) (PYCTSB)
  1623  (JSmol)               -58.6      -89.5       19.1   18.2   tris(O-Methyl dithiocarbonato-S,S')-antimony(iii) (FEXLUP)
  1624  (JSmol)              -121.7     -119.5       14.0   13.4   Dibromo-dimethyl-acetylacetonato-antimony(v) (MBACSB10)
  1626  (JSmol)               -84.9     -122.0       30.8   41.4   catena-(4-Aminopyridinium bis(mu-2-bromo)-dibromo-antimony(iii)) (ENIKIV)
  1627  (JSmol)               -48.2     -105.9       21.8   30.4   (4,4-bipyridinedi-ium) 4,4-bipyridinium hexabromo-antimony(iii) (DOSYAM)
  1630  (JSmol)             -1065.0    -1097.1       15.9   16.5   (Perfluoroisopropyl)oxonium (mu-2-fluoro)-bis(pentafluoro-antimonate) (GOBDEG)
  1631  (JSmol)              -471.5     -440.2       44.7   52.7   (mu-2-Oxo)-bis(difluoro-urea-antimony) (UROFSB10)
  1634  (JSmol)              -829.6     -861.8       31.3   45.3   Di-potassium bis(tartrato)-di-antimony trihydrate (DKSBTR)
  1637  (JSmol)               -58.9      -49.3       12.3    9.7   bis(Dimethyldibromo-antimony)methane (CEHGAX)
  1640  (JSmol)              -830.3     -856.0       34.4   34.0   Hexamethyldistibonium bis(hexafluoroantimonate) sulfur dioxide (BOFPER)
  1641  (JSmol)             -1118.8     -886.9       27.0   34.0   tris(18-Crown-6 Diammine potassium) undeca-antimonide ammonia solvate (DELHAE)
  1643  (JSmol)              -430.9     -413.8       26.9   27.7   Hexamethylpiperidinium heptafluorotellurate (ROLSOA)
  1644  (JSmol)              -230.5     -276.0        8.8   11.1   Telluric acid (Te(OH)6)) (ICSD 2879)
  1645  (JSmol)              -643.0     -686.0       25.7   27.4   Telluric acid bis(glycine) monohydrate (BINFAF10)
  1651  (JSmol)                15.4        3.8       32.6   23.9   bis(Tetramethylammonium) di-tellurium (LAXTAF)
  1652  (JSmol)              -233.4     -232.3       26.0   23.9   bis(Trimethylammonium) hexachloro-tellurium(iv) (BEJSAK)
  1653  (JSmol)              -204.2        -.-       29.9    -.-   catena-(hexakis(mu-2-Methanolato)-di-sodium ditelluride) (ZOMWON)
  1654  (JSmol)              -534.0     -555.3       29.6   32.7   tetrakis(Imidazolidine-2-thione)-tellurium(ii) hexafluorosilicate (QAMCAJ)
  1655  (JSmol)              -103.8      -95.8       23.5   25.3   tetrakis(Tetraethylammonium) bis(pentasulfido)tellurate(ii) bis(heptasulfido)tellurate(ii) (CALYET)
  1656  (JSmol)              -308.2     -346.3       45.4   42.7   tetrakis(Thiourea-S)-tellurium(ii) bis(hydrogen difluoride) (ZZZMJK02)
  1661  (JSmol)              -456.7     -502.5       31.5   29.1   (15-Crown-5)-trichloro-tellurium hexachloro-antimony (KUHXOA)
  1662  (JSmol)              -503.9     -542.2       23.9   20.8   bis(Oxo)-dichloro-bis(18-crown-6)-di-tellurium(iv) bis(hexachloroantimonate) (LONVEP)
  1663  (JSmol)              -634.5     -638.7       30.5   51.0   Tetrapyridinium bis((mu-2-oxo)-trifluorotellurate(iv)) bis(pentafluorotellurate(iv)) (WAVZID)
  1664  (JSmol)              -536.8     -509.0       22.9   11.9   catena(Tetraethoxyphosphonium nonachloro-di-tellurium(iv)) (JOJNIF)
  1665  (JSmol)                 9.2      -39.6       32.3   33.9   catena-(N-Hexamethylethylenediamine tetrakis(mu-2-tellurium)) (VEHMEA)
  1666  (JSmol)              -267.0     -147.4       29.4   23.4   bis(Dimethyl(phenyl)telluronium) hexachlorotellurate (CIFVET)
  1667  (JSmol)             -1246.0    -2369.8       23.3   78.7   Potassium bis((18-crown-6)-potassium) tritellurido-gallium acetonitrile solvate (SURDAK)
  1668  (JSmol)             -1240.8    -1191.3       17.1   20.8   Tetramethylammonium tetrakis(pentafluorotelluryloxy)borate (CIGFEE)
  1669  (JSmol)                72.6       26.5       48.6   32.4   Tetramethylnaphthobisditellurole carbon disulfide solvate (NUGSEN01)
  1670  (JSmol)              -140.1     -209.4       26.0   37.3   bis(Tetra-n-butylammonium) pentatelluride (CAHJOK)
  1672  (JSmol)                 3.3      -37.7       24.9   16.9   1,2-bis(Iodo)-1,2-diphospha-acenaphthene (GUTJOU)
  1673  (JSmol)               -55.7      -73.2       26.1   22.2   2-Iodo-1,3-di-t-butyl-1,3,2-diazaphospholene (CORGAS)
  1674  (JSmol)               -90.5     -129.8       20.6   22.1   4-Iodo-tetramethyl-tetra-aza-phosphaspiroheptane-2,6-dione (SAKMUM)
  1675  (JSmol)   -48.3       -48.5      -44.6       13.3   34.3   Ammonium iodide (NH4I)
  1677  (JSmol)              -622.8     -614.1        6.0    5.7   Cucurbit(6)uril p-phenylenediammonium clathrate bis(iodide) decahydrate (JEVZAM)
  1678  (JSmol)               -81.7       -6.6       26.2   28.1   Cyano-bis(ethylene-1,2-diamine)-copper(ii) iodide (LEMVIJ)
  1679  (JSmol)   -55.0       -60.2     -198.8       20.9   59.1   Hydrogen iodate (HIO3) (ICSD 66643)
  1680  (JSmol)                -7.8      -15.6       10.6   51.7   Hydrogen iodide (HI) (ICSD 40251)
  1681  (JSmol)               -32.5      -16.0       47.2   71.6   Iodo-(1,4,7-trithiacyclononane-S,S',S'')-copper(i) (FITDUH)
  1684  (JSmol)              -124.7     -140.5       40.0   14.2   Lithium iodide hydrate (LiI H2O) (ICSD 86231)
  1686  (JSmol)   -16.7       -46.8      -62.8       13.4   37.0   Phosphonium iodide (PH4I)
  1693  (JSmol)               -50.0      -15.0       10.7   18.1   bis(mu-2-Iodo)-bis(bis(tetrahydrothiophene)-copper(ii)) (FUHCEQ)
  1694  (JSmol)   -75.3       -77.4      -82.7       29.2    1.0   p-Iodobenzoic acid (BENMOW04)
  1695  (JSmol)               -21.6        2.0       25.4   35.1   Trimethylarsonium iodide (HAs(Me)3 I)
  1696  (JSmol)               -30.7       13.5       32.2   51.7   Trimethylselenonium iodide (METSEI01)
  1700  (JSmol)              -396.3     -284.8       27.0   32.2   bis(mu-2-Periodato)-bis(18-crown-6)-di-rubidium (JODBUA)
  1702  (JSmol)              -182.1     -183.1       35.2   25.6   Trimethylenediamine-dioxo-technetium(v) iodide monohydrate (NIPRIN)
  1703  (JSmol)              -101.8     -133.3       15.9   23.8   trans-Dioxo-bis(ethylenediamine)-technetium iodide (BEWREA)
  1707  (JSmol)               -21.6      -37.1       37.0   20.1   Iodo-(ethane-1,2-dithiolato)-antimony (AFOFAD)
  1708  (JSmol)               -46.7      -66.5       28.4   20.4   bis(mu-2-Tellurido)-tetrakis(1,2-diaminoethane-N,N')-di-indium(iii) bis(iodide) (BOKLET)
  1709  (JSmol)               -55.8     -224.1       23.3   31.8   2,8-dioxo-4,6-diphenyl-4-diioda-3,5,7-trioxanonane (AHORIZ)
  1710  (JSmol)              -167.3     -314.0       23.2   23.9   4,6-diphenyl-4l3,6l3-diioda-3,5,7-trioxa-2,8-dithianonane 2,2,8,8-tetraoxide (BACCUF)
  1711  (JSmol)              -140.1     -105.2       23.4   92.8   Ammonium trans-di-iodo-bis(glyoximato-N,N')-cobalt(iii) (KIDRIY)
  1714  (JSmol)               -96.6       38.4       15.3   88.0   Carbonyl-(cyclopentadienyl)-di-iodo-cobalt(iii) (MULJIM)
  1716  (JSmol)              -366.5      -72.0        9.2   83.2   Di-iodo-nitrosyl-bis(trimethylphosphine)-cobalt (FALTAN)
  1717  (JSmol)                20.3      -33.1       16.7   18.3   IX (XATMIP)
  1719  (JSmol)              -113.5     -162.8       16.4   12.6   Iodo-bis(ethylenediamine)-aqua-nickel(ii) iodide (IENANI)
  1727  (JSmol)              -123.6     -128.1       25.0   83.0   bis(Di-iodo-(diethyl ether)-aluminium(ii)) (NIZWIC)
  1728  (JSmol)              -445.3     -375.1       22.9   23.6   tris(1,2-bis(Dimethoxy)ethane-O,O')-iodo-calcium iodide (ULOGAD)
  1729  (JSmol)               -81.4      -81.5       10.5   19.6   bis(mu-2-Isopropylthio-S,S)-tetraiodo-di-gallium (DIGZAU)
  1730  (JSmol)                -9.3      -11.1       38.0   36.7   Me3AsI2 (ZODJOR)
  1731  (JSmol)                -4.6       -4.2       20.6   54.6   1,4-Diselenane bis(iodine) (DSEIOD)
  1732  (JSmol)                68.1       53.9       41.6   59.1   catena-(bis(Methylenedithiotetraselenafulvalene) polyiodide) (IWOFAB)
  1734  (JSmol)              -334.0     -277.2       27.9   28.0   trans-Di-iodo-tris(methanol)-(tetramethylethylenediamine)-strontium(ii) tetramethylethylenediamine solvate (TAQPUW)
  1735  (JSmol)              -423.9     -381.7       35.1   22.4   tris(1,2-Dimethoxyethane-O,O')-diiodo-strontium(ii) (FOGRUP)
  1736  (JSmol)                49.6       35.2       14.5   10.8   tris(2,2'-Bipyridine)-di-iodo-strontium(ii) 2,2'-bipyridine solvate (TAQQUX)
  1738  (JSmol)               -34.2     -189.3       17.4   72.5   Tetramethylammonium catena(di-iodo-silver(i)) (CEZHEU)
  1741  (JSmol)               -35.9      -55.4       28.2   11.3   catena(bis(N,N-Diethyldithiocarbamato)-iodo-antimony(iii)) iodine (ETCSBB)
  1742  (JSmol)               -19.8     -161.6       40.7   42.1   1,3-di-t-butyl-2,4,5-triiodo-2,4,5-triphosphabicyclopentane iodine (BOCROB)
  1744  (JSmol)               -39.1      -76.9       35.6   41.1   Ammonium triiodide (NH4I3) (ICSD 2110220)
  1747  (JSmol)    43.3        35.8       16.5       12.2   29.9   Iodoform (CHI3) (IODOFO)
  1748  (JSmol)                31.7      -64.0       43.9   38.6   Nitrogen iodide ammonia (N2H3I3) (ICSD 27416)
  1752  (JSmol)              -339.8     -698.3       24.3   42.0   a,e-Diaminocapronic acid iodic acid (HIRMOK)
  1753  (JSmol)                30.5        5.6       12.6   20.7   bis(Dipyridiniomethane) bis(mu-2-iodo)-tetra-iodo-di-copper(i) (DEHKEG)
  1754  (JSmol)                 5.4     -229.2       24.5   20.5   catena-(((((((Hydroxy(phenyl)iodanyl)oxy)(phenyl)-iodanyl)oxy)-sulfonyl)oxy)(phenyl)iodane) (NILXUC)
  1755  (JSmol)              -533.8     -494.3       24.8   17.5   hexakis(Urea)-vanadium tris(iodide) (HURVTI01)
  1757  (JSmol)               -41.2      -52.6       11.2   26.6   Tri-iodo-methyl-germanium (CUDKIV)
  1759  (JSmol)               -70.6      -56.9       19.4   26.0   tris(Iodo)-trimethylarsane-gallium(iii) (TINJAC)
  1765  (JSmol)              -456.8     -431.0       28.3   35.9   18-Crown-6 potassium tricarbonyl-tri-iodo-ruthenium (FEHGEE)
  1768  (JSmol)               -20.4      -35.4       21.5   76.9   (1,4,7-Trithiacyclononane)-tri-iodo-antimony(iii) (JUYKUJ)
  1770  (JSmol)              -168.7     -465.6       12.7   34.7   (Oxybis((phenyliodanediyl)oxysulfonyloxy))bis(hydroxy(phenyl)iodane) (AHOREV)
  1772  (JSmol)              -118.7     -151.1       37.7   27.4   Copper(ii) tetrammine duo-diiodide (Cu(NH3)4I2) (ICSD 4072)
  1773  (JSmol)               -15.5     -141.5       20.6   34.2   Methyltri-iodophosphonium iodide (HEDGIG)
  1776  (JSmol)              -177.5     -249.2       20.7   23.3   Tri-isopropyl-iodo-phosphonium iodide dichloromethane solvate (DOQVEK)
  1777  (JSmol)                10.5       14.6       14.4   18.1   bis(4-Cyano-1-methylpyridinium) tetraiodo-zincate (FEYLOL)
  1780  (JSmol)                64.5       57.8       19.0   77.9   Iodo-di(cyclopentadienyl)-ruthenium tri-iodide (RUTCIT10)
  1781  (JSmol)              -105.0      -35.7       14.7   46.0   Tetra-n-propylammonium dicarbonyl-tetraiodo-rhodium(iii) (PRAIRH)
  1782  (JSmol)              -144.8      -66.4       29.0   24.5   Triethylsulfonium tetrakis(iodo)-palladium(ii) (KIBMUE)
  1783  (JSmol)              -196.4     -153.1        9.0   19.2   Tetra-n-butylammonium tetraiodo-indate(iii) (AHOMIT)
  1784  (JSmol)               -82.3      -55.1       30.1   43.0   bis(Pentamethylcyclopentadienyl)stibocenium tetraiodoaluminium (GOMMEA)
  1786  (JSmol)              -117.8     -101.0        9.2   16.4   bis(Tetraethylammonium) tetraiodo-tellurate(ii) (DAMFIG)
  1787  (JSmol)              -109.6     -201.8       18.3   50.8   tetrakis(Acetonitrile)-di-iodo-titanium tri-iodide (KADVIU)
  1789  (JSmol)               -44.3      -70.9       25.1   21.2   bis(bis(mu-2-Iodo)-(h4-1,3,5-trimethylcyclohexa-2,5-diene-1,4-diyl)-niobium) iodide (ZOWYAL)
  1790  (JSmol)              -567.8       83.3        6.6    9.6   trans-mer-Aqua-di-iodo-tris(1,3,5-triaza-1-methyl-7-phosphatricyclodecane-P)-ruthenium tri-iodide dihydrate (BAQFOP01)
  1792  (JSmol)              -733.1     -837.8       17.2   31.8   Di-iodo-pentakis(tetrahydrofuran)-yttrium(iii) tetra-iodo-bis(tetrahydrofuran)-yttrium(iii) (ERASIZ)
  1793  (JSmol)              -166.6     -175.2       15.2   18.5   catena-(bis(4-iodobutylammonium) bis(mu-2-iodo)-di-iodo-tin) (BIVLUO)
  1794  (JSmol)                -3.8      -85.7        6.4   33.1   bis(Trimethylammonium) hexaiodo-tellurium(iv) (DIYGOH)
  1795  (JSmol)              -363.8     -305.6       21.2   18.8   Tetra-acetonitrile-tri-iodo-zirconium acetonitrile-penta-iodo-zirconium (FINBAF)
  1796  (JSmol)              -256.0     -278.8       31.3   24.3   Polymeric tris-acetone sodium di-iodide [Na(C3H6O)3I2]n (GADMOO) (2,2,4)
  1808  (JSmol)   -99.7      -109.9     -122.0       38.0   25.8   Cesium deuteroxide (CsOD) (ICSD 60971)
  1809  (JSmol)              -351.7     -454.0       33.5   54.7   Cesium dihydrogen phosphate (CsH2PO4) (ICSD 79608)
  1811  (JSmol)                 2.8      -14.2       23.4   19.0   Cesium hydrogen acetylide (CsHC2) (ICSD 107491)
  1812  (JSmol)  -230.9      -216.6     -261.5       25.5   50.0   Cesium hydrogen carbonate (CsHCO3) (ICSD 300259)
  1813  (JSmol)              -171.5     -171.4       19.3   36.0   Cesium hydroxide hydrate (CsOH H2O) (ICSD 280909)
  1814  (JSmol)             -1131.5     -935.5       18.8   57.0   Cesium iron(iii) sulfate dodecahydrate (CsFe(SO4)2 (H2O)12) (ICSD 201213)
  1819  (JSmol)              -264.6     -231.7       34.1   69.9   CsHSO4
  1821  (JSmol)             -1127.6    -1065.9        5.6   10.4   Picrato-valinomycin-cesium (DOWDAU)
  1822  (JSmol)              -919.0     -896.7       19.6   35.5   Tetramethylammonium cesium (mu-2-fluoro)-aqua-heptafluoro-dioxo-di-vanadium (SARLUS)
  1823  (JSmol)             -1209.8    -1196.3       16.1   32.0   bis(15-Crown-5)-cesium heptafluoro-2,4-bis(trifluoromethyl)pentenide (CAZWUW)
  1825  (JSmol)             -1816.3    -1994.6       27.7   60.5   Cesium tetrakis(hexafluoroacetylacetonato)-yttrate(iii) (CYSFAC10)
  1826  (JSmol)              -228.0     -447.8       22.9   65.2   18-Crown-6-cesium dicyano-silver(i) (GOKZOV)
  1827  (JSmol)               -39.5      -16.3       53.5   51.4   Cesium tetramethylindate (CMEIND)
  1828  (JSmol)              -482.5     -561.1       35.6   62.0   Cesium EDTA-antimonate(iii) monohydrate (BAWGIP)
  1842  (JSmol)              -485.6     -726.7       21.4   41.7   (18-Crown-6)-bis(perchlorato)-barium (MIFNUL)
  1843  (JSmol)              -481.5     -826.5       23.5   68.7   Ba(OH)2 3(H2O)
  1850  (JSmol)  -349.0      -348.6     -672.5       32.8   75.5   Barium chloride dihydrate (BaCl2 2(H2O)) (ICSD 2254)
  1854  (JSmol)  -225.8      -240.5     -514.3       21.3   66.3   Barium hydroxide (Ba(OH)2) (ICSD 56737)
  1855  (JSmol)  -225.8      -232.0     -520.0       13.2   74.0   Barium hydroxide (Ba(OH)2) (ICSD 92788)
  1856  (JSmol)              -846.3    -1120.4       29.9   65.2   Barium hydroxide octahydrate (BaO10H18)
  1859  (JSmol)              -651.3     -873.8       11.3   45.9   Barium oxalate oxalic acid dihydrate (BAHOXH11)
  1865  (JSmol)              -820.2    -1071.0       24.2   37.8   Chloro-(18-crown-6)-triaqua-barium chloride dihydrate (LIFFIQ)
  1866  (JSmol)              -481.5     -749.5        9.3   26.0   Di-isothiocyanato-nonaoxabicyclo heptacosane)-barium dichloromethane solvate (COCLIP)
  1867  (JSmol)              -845.0    -1121.4       12.1   22.4   Diaqua-(1,10-diaza-18-crown-6)-tetrafluorosuccinato-barium (MUJBEY)
  1871  (JSmol)              -985.2    -1150.0       25.3   16.5   aqua-bis(hexafluoropentane-2,4-dione)-barium (KOWPOB)
  1872  (JSmol)              -701.8     -924.6       17.5   19.0   bis(15-Crown-5)-barium tetrachloro-copper (HEPWOO)
  1873  (JSmol)              -370.1     -651.8        8.1   17.3   bis(Tetrahydrofuran-O)-bis(bis(trimethylsilyl)amido)-barium (KILXOS)
  1874  (JSmol)              -125.3     -456.9       18.6   46.4   bis(mu-2-N,N',N',N''-Tetraisopropylguanidinato-N,N,N'',N'')-bis(h5-pentamethyl-cyclopentadienyl)-di-barium benzene solvate (YOBKEG)
  1875  (JSmol)              -368.7     -635.5       15.3   25.0   Barium cryptate(222) tetraselenide ethylenediamine solvate (BINDEH10)
  1876  (JSmol)              -252.3     -332.7       15.6    4.8   tetrakis(Ethylenediamine)-barium tetraselenide ethylenediamine solvate (BINDAD10)
  1878  (JSmol)  -326.5      -329.4     -669.8       31.4   84.4   Barium bromide dihydrate (BaBr2 2(H2O)) (ICSD 33949)
  1880  (JSmol)              -655.6     -920.0       24.7   51.8   Bromo-(15-crown-5)-triaqua-barium bromide monohydrate (LIFDAG)
  1881  (JSmol)              -724.9    -1011.7       21.0   31.5   bis(1,4,7,10,13-Pentaoxacyclopentadecane)-barium bromide dihydrate (PXCDBA)
  1884  (JSmol)              -721.2     -993.8       18.2   29.4   Aqua-(7,16-bis(2-O-hydroxyethyl-2-oxyethyl)-1,4,10,13-tetraoxa-7,16-diazacyclo-octadecane)-barium(ii) di-iodide dihydrate (VEPMUY)
  1887  (JSmol)              -187.4     -405.4       21.9   27.5   catena-(tris(mu-2-4,4'-Bipyridine)-tetrakis(propan-1-ol)-tetra-iodo-di-barium(ii) bis(4,4'-bipyridine)) (TAQJIE)
  1890  (JSmol)              -780.4    -1500.8       27.4   52.8   catena-((mu-3-Methanol)-bis(mu-2-hydroxo)-methanol-barium methanol solvate) (GEMVOK)
  1891  (JSmol)             -1555.8    -2900.9       11.3   51.6   Barium ethylenediamine-tetra-acetate hydrate (BAEDTA)
  1893  (JSmol)              -432.9     -570.1       13.1   60.9   (15-Crown-5)-trichloro-lanthanum(iii) (YICCES)
  1894  (JSmol)             -1199.2     -486.6       21.8   25.2   Ammonium lanthanum sulfate (ICSD 20895)
  1895  (JSmol)             -1369.1    -1536.7       24.8   36.3   Catena benzoic acid phosphate water lanthanum(iii) complex (DEJVAQ)
  1896  (JSmol)              -561.9     -682.1       15.6   15.9   La Complex Sparkle (HETALA11)
  1897  (JSmol)               143.6      -92.7       12.3   12.2   La Complex Sparkle (HINKAQ)
  1898  (JSmol)               -44.7     -198.9       20.6   17.7   La Complex Sparkle (HUFQOO)
  1899  (JSmol)              -277.9     -424.3       17.9   13.4   La Complex Sparkle (SUZXIU)
  1900  (JSmol)              -133.6     -255.8       15.3   14.5   La Complex Sparkle (TEQBOG)
  1901  (JSmol)              -674.0     -730.9       28.9   17.9   La Complex Sparkle (YIVZIM)
  1904  (JSmol)              -257.6    -1088.0       43.7    -.-   Lanthanum(iii) hydroxide (La(OH)3) (ICSD 548159)
  1908  (JSmol)             -1558.6    -1805.2       21.3   71.2   Nona-aqua-lanthanum tris(trifluoromethanesulfonate) (BUVVIX)
  1909  (JSmol)              -299.6      -35.1       25.7   21.3   cis-tetrakis(Triaza-tris(s-homobenzene)-N,N',N'')-lanthanum triperchlorate acetonitrile solvate (DEGDEY)
  1910  (JSmol)              -371.8     -368.0       29.9   24.3   tris(1-Ethyl-3-methylimidazolium) hexachlorolanthanate (UFAXAA)
  1912  (JSmol)              -340.9     -157.0       24.4   34.3   Acetonitrile)-(tris((2-pyrazinyl)methyl)amine)-tri-iodo-lanthanum(iii) acetonitrile solvate (EFUBAI)
  1916  (JSmol)             -1413.3    -1885.4       44.7   38.9   Lanthanum(iii) sulfate nonahydrate (La2(SO4)3 9(H2O)) (ICSD 1408775)
  1917  (JSmol)              -100.4     -474.4       12.0   11.5   Trilithium dilanthanum nitrate trihydrate (ICSD 39514)
  1918  (JSmol)              -759.3     -789.2       27.9   22.1   Dibromo-bis(diglyme-O,O',O'')-lanthanum(iii) tetrabromo-(diglyme-O,O',O'')-lanthanum(iii) (RIGYUB)
  1919  (JSmol)              -595.4     -834.1       13.4   18.2   Ce Complex Sparkle (GINNUM)
  1920  (JSmol)              -164.0     -385.4       15.6   18.6   Ce Complex Sparkle (PEKWEH)
  1921  (JSmol)              -214.3     -150.0       25.3   21.5   Ce Complex Sparkle (SOZLUO)
  1922  (JSmol)                88.5     -318.6       16.8   18.0   Ce Complex Sparkle (TIJCIY)
  1923  (JSmol)               396.0       38.9       15.1   18.3   Ce Complex Sparkle (XONYAA)
  1924  (JSmol)              -180.9     -567.9       23.9   18.9   Pr Complex Sparkle (ICSD 240384)
  1925  (JSmol)              -137.1     -617.1       19.9   16.1   Pr Complex Sparkle (ICSD 411291)
  1926  (JSmol)             -1436.1    -1566.2       21.6   22.3   Pr Complex Sparkles (BUVWIY01)
  1927  (JSmol)                82.8     -730.9       26.0   21.2   Pr Complex Sparkles (GIWWEO)
  1928  (JSmol)               143.0     -262.1       18.7   19.2   Pr Complex Sparkles (KAWBIT)
  1929  (JSmol)              -169.3     -383.2       12.7   12.1   Pr Complex Sparkles (PELGOC)
  1930  (JSmol)             -1219.5    -1492.8       17.8   15.2   Pr Complex Sparkles (VELRUZ)
  1931  (JSmol)                37.8     -306.6       33.8   35.4   Nd Complex Sparkle (BILSIY)
  1932  (JSmol)             -1366.4    -1533.8       13.8   16.9   Nd Complex Sparkle (BUVWOE01)
  1933  (JSmol)              -256.2     -617.9       29.2   39.8   Nd Complex Sparkle (ICSD 37181)
  1934  (JSmol)                 9.3     -517.9       21.3   17.6   Nd Complex Sparkle (ICSD 411290)
  1935  (JSmol)              -317.7     -655.0       18.8   22.0   Nd Complex Sparkle (NATPAZ01)
  1936  (JSmol)              -203.5     -228.5       26.1   19.9   Nd Complex Sparkle (QAYWOC)
  1937  (JSmol)               514.4        3.8       24.2   27.9   Nd Complex Sparkle (QEBJIQ)
  1938  (JSmol)               479.7       56.9       15.6   19.3   Nd Complex Sparkle (XONYII)
  1939  (JSmol)             -1379.9    -1547.5       23.6   22.0   Sm Complex Sparkle (BUVWUK01)
  1940  (JSmol)              -681.7     -970.7       12.1   12.4   Sm Complex Sparkle (CORKEZ)
  1941  (JSmol)               -36.6     -475.2       17.3   22.0   Sm Complex Sparkle (ICSD 409528)
  1942  (JSmol)              -443.6     -720.0       17.4   25.1   Sm Complex Sparkle (KUYBAH)
  1943  (JSmol)              -186.2     -576.9       12.5   14.8   Sm Complex Sparkle (QIPQOV)
  1944  (JSmol)               -60.0     -387.7       23.3   22.7   Sm Complex Sparkle (XAGVOQ)
  1945  (JSmol)              -300.6     -418.2       21.5   18.1   Sm Complex Sparkle (XAXYAW)
  1946  (JSmol)              -361.5     -513.2       26.0   21.7   Sm Complex Sparkle (YEYLAP)
  1947  (JSmol)             -1363.4    -1374.8       23.5   25.0   Eu Complex Sparkle (BUVXAR11)
  1948  (JSmol)               459.1      149.5       14.9   12.5   Eu Complex Sparkle (EGOBEH)
  1949  (JSmol)              -424.9     -559.8       15.1   23.2   Eu Complex Sparkle (FUXPOD)
  1950  (JSmol)              -284.6     -421.6       17.7   37.3   Eu Complex Sparkle (ICSD 280528)
  1951  (JSmol)                13.7     -120.7       28.3   22.1   Eu Complex Sparkle (PIEUAC01)
  1952  (JSmol)              -530.3     -561.8       18.5   16.6   Eu Complex Sparkle (QAKWUU)
  1953  (JSmol)             -1317.7    -1514.3       22.7   22.6   Gd Complex Sparkle (BUVVOD01)
  1954  (JSmol)              -854.7    -1077.6       13.3   46.5   Gd Complex Sparkle (CULNIG10)
  1955  (JSmol)              -221.6     -575.5       13.7   21.5   Gd Complex Sparkle (ICSD 109886)
  1956  (JSmol)              -491.8     -875.3       20.0   24.6   Gd Complex Sparkle (JOPJIH01)
  1957  (JSmol)               992.2      582.2       23.5   18.8   Gd Complex Sparkle (OBUJIE)
  1958  (JSmol)               369.3     -139.8       17.5   18.0   Gd Complex Sparkle (PADEGA10)
  1959  (JSmol)               -70.6     -500.9       15.1   13.2   Gd Complex Sparkle (VEDSEC)
  1960  (JSmol)               383.1       44.8       13.8   13.7   Gd Complex Sparkle (YUWZOF)
  1961  (JSmol)             -1333.0    -1380.4       21.6   24.6   Tb Complex Sparkle (BUVXEV01)
  1962  (JSmol)              -505.8     -656.1       14.5   17.9   Tb Complex Sparkle (FOPPUV)
  1963  (JSmol)              -506.9     -647.0       23.2   29.1   Tb Complex Sparkle (ICSD 1408781)
  1964  (JSmol)               206.0      -16.5       10.0   25.5   Tb Complex Sparkle (ICSD 1522521)
  1965  (JSmol)              -354.9     -534.4       27.8   28.8   Tb Complex Sparkle (KITGAV)
  1966  (JSmol)              -395.3     -557.4       16.1   22.4   Tb Complex Sparkle (KUYBEL)
  1967  (JSmol)               145.6      -40.5       21.0   17.9   Tb Complex Sparkle (XEXJIT)
  1968  (JSmol)             -1061.3    -1085.7       24.4   23.3   Tb Complex Sparkle (ZZZARD01)
  1969  (JSmol)                50.1      -47.1       16.1   16.4   Tb Complex Sparkle (VAPTEL01)
  1970  (JSmol)             -1283.2    -1406.7       25.7   28.4   Dy Complex Sparkle (BUVXIZ01)
  1971  (JSmol)              -154.3     -408.7       28.0   33.4   Dy Complex Sparkle (CECLIF10)
  1972  (JSmol)             -1000.9    -1120.4       16.3   22.8   Dy Complex Sparkle (FOPNAZ)
  1973  (JSmol)              -345.6     -600.1       16.7   25.3   Dy Complex Sparkle (FUXRAR)
  1974  (JSmol)                62.9     -291.8       20.2   11.5   Dy Complex Sparkle (ICSD 200095)
  1975  (JSmol)              -261.3     -540.5       23.1   24.2   Dy Complex Sparkle (QQQEMM01)
  1976  (JSmol)              -787.7    -1148.0       16.5   22.7   Dy Complex Sparkle (ICSD 1904895)
  1977  (JSmol)               203.8     -189.6       17.7   14.5   Ho Complex Sparkle (BAGBAN)
  1978  (JSmol)              -498.4     -712.8       32.1   32.2   Ho Complex Sparkle (BEYSAZ)
  1979  (JSmol)             -1334.7    -1505.5       18.5   16.6   Ho Complex Sparkle (BUVXOF01)
  1980  (JSmol)               210.8     -192.0       11.7   14.0   Ho Complex Sparkle (CAQFUV)
  1981  (JSmol)              -783.4    -1128.9       12.2   15.4   Ho Complex Sparkle (ECOJEL)
  1982  (JSmol)             -1060.3    -1209.7       36.7   36.8   Ho Complex Sparkle (HOESUL02)
  1983  (JSmol)                 8.6     -397.2       27.6   29.8   Ho Complex Sparkle (ICSD 200096)
  1984  (JSmol)              -258.6     -529.5       41.6   33.5   Ho Complex Sparkle (XEWVIE)
  1985  (JSmol)              -837.1    -1271.4       20.7   26.1   Ho Complex Sparkle (ICSD 1421578)
  1986  (JSmol)               560.0      119.9       12.1    7.5   Er Complex Sparkle (BOWXOA)
  1987  (JSmol)              -803.1     -921.5       13.2   11.4   Er Complex Sparkle (DIYNII)
  1988  (JSmol)               -30.2     -345.6       12.4   11.2   Er Complex Sparkle (HAGSAJ)
  1989  (JSmol)               128.2     -299.3       19.2   25.8   Er Complex Sparkle (ICSD 200097)
  1990  (JSmol)                17.7     -279.3       37.4   18.1   Er Complex Sparkle (ICSD 34473)
  1991  (JSmol)              -570.0     -957.3       37.9   27.3   Er Complex Sparkle (ICSD 413883)
  1992  (JSmol)              -212.1     -520.4       24.7   24.6   Er Complex Sparkle (LEYJII)
  1993  (JSmol)               625.2      118.9       27.2   26.6   Er Complex Sparkle (XOXXAJ)
  1994  (JSmol)              -111.8     -346.2       13.7   17.2   Tm Complex Sparkle (COZHII)
  1995  (JSmol)              -210.8     -432.3       10.5   16.5   Tm Complex Sparkle (ICSD 39918)
  1996  (JSmol)                27.7     -337.8        5.3   19.8   Tm Complex Sparkle (ICSD 69336)
  1997  (JSmol)              -297.1     -559.3       28.9   31.8   Tm Complex Sparkle (KITHAW)
  1998  (JSmol)               -47.1     -314.3       21.6   18.8   Tm Complex Sparkle (TUPYUY)
  1999  (JSmol)             -1003.9    -1107.9       28.4   36.1   Tm Complex Sparkle (ZZZARJ01)
  2000  (JSmol)               363.1       12.8       23.9   29.0   Tm Complex Sparkle (TUTXOV)
  2001  (JSmol)              -369.8    -1016.7       22.2   23.6   Tm Complex Sparkle (NIHZUZ)
  2002  (JSmol)             -1226.1    -1444.3       29.1   26.4   Yb Complex Sparkle (BUVYEW01)
  2003  (JSmol)               236.4     -103.8       21.9   18.2   Yb Complex Sparkle (MIPTUA)
  2004  (JSmol)               376.0      -65.5       16.6   13.9   Yb Complex Sparkle (QAXYAP)
  2005  (JSmol)               222.6     -148.6       21.9   19.0   Yb Complex Sparkle (RENXIR)
  2006  (JSmol)               349.1       76.8       20.9   25.7   Yb Complex Sparkle (YIZHUK)
  2007  (JSmol)               349.5       76.8       20.9   25.7   Yb ComplexSparkle (YIZHUK)
  2008  (JSmol)             -1724.0    -2153.6       21.0   23.5   Yb Complex Sparkle (QAKXIJ)
  2009  (JSmol)              -345.1     -453.5       20.4   21.5   (2,2'-(1,3-dithiapropane-1,3-diyl)bis(6-t-butyl-4-methylphenolato))-bis(tetrahydrofuran)-((trimethylsilyl)methyl)-lutetium tetrahydrofuran solvate (JOJQAB)
  2010  (JSmol)             -1047.3    -1300.2       25.6   35.0   (mu-2-1,4,7,10-Tetra-azacyclododecane-1,4,7-triacetato-10-methyl hydrogen phosphonato)-triaqua-lithium-lutetium(iii) dihydrate (LARLAS)
  2011  (JSmol)              -988.8     -943.9       23.3   16.4   15-Crown-5 octa-aqua-lutetium trichloride (FILVUR)
  2012  (JSmol)               -83.1     -130.1       17.3   11.3   Chloro-bis(cyclopentadienyl)-(tetrahydrofuran)-lutetium (FATGIQ10)
  2013  (JSmol)              -224.2     -192.9       27.2   16.7   Dibromo-(tetrahydrofuran)-(2,6-bis((3-mesityl-1,3-dihydroimidazol-2-ylidene)methyl)phenyl)-lutetium tetrahydrofuran solvate (TOJMEL)
  2014  (JSmol)             -1265.8    -1472.5       25.0   25.8   Lu Complex Sparkle (BUVVUJ)
  2015  (JSmol)               150.7       49.7       24.7   24.2   Lu Complex Sparkle (FAZDIT)
  2016  (JSmol)               106.1     -558.2       35.7   38.9   Lu Complex Sparkle (ICSD 110102)
  2017  (JSmol)              -222.8     -464.2       21.8   38.5   Lu Complex Sparkle (ICSD 410763)
  2018  (JSmol)               734.9      100.8       25.6   15.6   Lu Complex Sparkle (LAWREG)
  2019  (JSmol)               415.5     -137.9       16.8    9.9   Lu Complex Sparkle (TABCOO)
  2020  (JSmol)              -959.1    -1287.7       13.0   16.3   Lu Complex Sparkle (UFIROQ)
  2021  (JSmol)               -74.0     -426.5       24.2   29.1   Lu Complex Sparkle (XECQUR)
  2024  (JSmol)              -562.2     -478.1       39.4   34.9   Lutetium(iii) perchlorate trihydrate (Lu[ClO4]3[H2O]3)
  2028  (JSmol)             -1367.3    -1316.0       32.7   31.2   Nona-aqua-lutetium tris(ethyl sulfate) (ZZZARM01)
  2029  (JSmol)             -1648.2    -1607.9       23.2   14.3   Nona-aqua-lutetium tris(trifluoromethanesulfonate) (BUVVUJ)
  2030  (JSmol)              -430.5     -451.1       20.9   23.2   Trichloro-(triethylene glycol)-lutetium (FUXSEW)
  2031  (JSmol)              -384.1     -395.5       20.5   14.7   Trichloro-tris(tetrahydrofuran)-lutetium (HAFWAM)
  2032  (JSmol)             -1023.5    -1055.2       16.2   23.5   bis(Hexaaqua-(benzene-1,2-disulfonato)-lutetium(iii)) benzene-1,2-disulfonate tetrahydrate (GIFBUT)
  2033  (JSmol)               381.9      378.7       21.4   10.9   bis(Phthalocyaninato)-lutetium(iii) dichloromethane solvate (DICBUM)
  2034  (JSmol)               -51.4     -365.9       30.3   41.3   bis(h5-Pentamethyl-cyclopentadienyl)-lutetium-dimethylphosphonio-bis(methanide) (CIXTUY)
  2035  (JSmol)              -449.6     -515.2       36.4   37.9   tetrakis(Methylammonium) hexachloro-lutetium(iii) chloride (VESYAU)
  2036  (JSmol)                99.0       67.6       25.0   12.1   tris(o-((Dimethylamino)methyl)phenyl)-lutetium (CILCUV)
  2038  (JSmol)              -463.9     -405.7       28.0   32.1   cis-Diiodo-tetrakis(isopropanol)-lutetium(iii) iodide (ESECEK)
  2040  (JSmol)               -30.7      -11.5       17.9   14.5   Dimethylhafnocene (DMCPHF)
  2046  (JSmol)              -655.5     -675.7       22.7   31.6   Hexamethylenediammonium hexafluoro-hafnium (RENPAB)
  2047  (JSmol)             -2148.0    -2099.6       17.9   53.7   Sodium tetrakis(catecholato)-hafnium(iv) hydrate (HFCATH)
  2048  (JSmol)              -759.7     -761.6       14.4   26.0   Tetramethylene-1,4-diammonium bis(mu-2-fluoro)-octafluoro-diaqua-di-hafnium(iv) tetrahydrate (ROLPEN)
  2049  (JSmol)              -833.7     -770.1       18.4   23.3   bis(Guanidinium) difluoro-(ethylenediaminotetra-acetato)-hafnium(iv) monohydrate (ZULSEE)
  2050  (JSmol)               -60.8        2.3       18.4   18.0   bis(N,N-(Dipyrrolyl-2-methyl)-N-methylamido)-hafnium(iv) dichloromethane solvate (LULCEA)
  2051  (JSmol)              -769.7     -995.1       22.4   79.6   catena-(Di-rubidium(i) bis(mu-2-fluoro)-(mu-2-oxalato)-bis(aqua-trifluro-hafnium(iv)) dihydrate) (YEWJAL)
  2052  (JSmol)              -518.9     -596.3       28.6    -.-   tetrakis(Tetrahydroborato)-hafnium (FUZVOL)
  2053  (JSmol)              -314.4     -370.9       24.9   37.6   Dichloro-(bis(h4-tetramethylcyclopentadienyl)dimethylphosphonium)-hafnium iodide (ICEHED)
  2056  (JSmol)               -89.1      -38.9       25.1   32.2   (cryptand)-sodium tris(1,2,3-h-cycloocta-1,3,5-trienyl)-tantalum (OGISAY)
  2057  (JSmol)              -511.2     -513.7       31.2   22.7   1-Ethyl-3-methylimidazolium hexafluorotantalate (MESBOC)
  2058  (JSmol)              -194.4     -216.9       10.2   10.8   15-Crown-5-sodium hexakis(phenylthiolato-S)-tantalum (KIGGEM)
  2059  (JSmol)              -617.1     -555.5       13.5   15.9   18-Crown-6 oxonium hexachloro-tantalum(v) (TEDYUW)
  2060  (JSmol)              -848.3     -856.2       34.5   27.0   Betainium hexafluoro-tantalum(iv) dihydrate (CEYCEO)
  2061  (JSmol)              -481.9     -483.9       29.2   33.1   Difluoropermethyltantalocene tetrafluoroborate (BAZNIZ)
  2062  (JSmol)              -844.4     -843.3       24.8   27.7   Hydroxonium 18-Crown-6 clathrate hexafluorotantalate (SINSEO)
  2071  (JSmol)             -1486.8    -1474.9        8.6   30.3   Trityl hexakis(pentafluorophenoxy)-tantalum (QINKON)
  2072  (JSmol)              -458.1     -376.1       23.3   23.0   tetrakis(2,2,6,6-Tetramethylheptane-3,5-dionato)-tantalum(v) hexachlorotantalate (QAQPAA)
  2073  (JSmol)              -154.7      -78.7       16.6   15.1   tetrakis(hexahydro-pyrimido[1,2-a]pyrimidyl)-tantalum hexachloro-tantalum (EMUDAR)
  2074  (JSmol)              -681.3     -695.1       26.8   28.8   tris(2-Ammonioethyl)amine heptafluoro-tantalum fluoride (QAJJIV)
  2075  (JSmol)              -138.3      -83.3       29.4   29.7   tris(Diethyl ether)-lithium hexamethyl-tantalum(v) (POZHUH)
  2076  (JSmol)              -534.7     -534.9       27.6   31.5   tris(Guanidinium) hexafluoro-tantalum (YAVZEB01)
  2077  (JSmol)              -338.9     -248.5       22.1   25.9   tris(Guanidinium) tetrakis(peroxo)tantalum(v) (ABUNOB)
  2081  (JSmol)              -241.4      -60.9       18.3   28.1   (Diethyl ether)-lithium heptamethyl-tungsten (RETNEJ)
  2082  (JSmol)              -572.1     -559.9       24.7   22.8   18-Crown-6 hydroxonium clathrate aqua-oxo-tetrabromo-tungsten (NANQEY)
  2084  (JSmol)              -617.7     -608.4       13.7   22.9   Dichloro-oxo-(N,N',N''-trimethyl-1,4,7-triazacyclononane-N,N',N'')-tungsten(v) hexafluorophosphate (DIBVEP)
  2092  (JSmol)              -219.9     -217.0       13.3   19.4   Tetramethylammonium chloro-pentacarbonyl-tungsten (CPECOW)
  2103  (JSmol)              -293.3     -265.7       22.7   41.4   Tungsten(vi) oxide hydrate (H2WO4) (ICSD 201806)
  2105  (JSmol)              -290.0     -266.0       22.4   40.2   Tungstic acid (tungstite) (H2WO4) (ICSD 2110209)
  2107  (JSmol)              -125.8     -155.5        8.5   19.0   trans Ammonium tetrabromo-bis(4-methylpyridyl)-tungsten(iii) 4-methylpyridine ammonia solvate (JEPCUC)
  2109  (JSmol)              -134.9     -138.6       11.3   16.1   Tricarbonyl-(h5-(2-(trimethylammonio)ethyl)cyclopentadienyl)-iodo-tungsten(ii) iodide (LIMZIR)
  2110  (JSmol)              -713.3     -762.4       37.7   50.0   Cesium hexafluoro-2,2,2-trifluoroethoxy-tungsten(vi) acetonitrile solvate (JONCAQ)
  2112  (JSmol)              -885.2     -986.2       31.7   23.2   (mu-2-Oxo)-tetrakis(h5-cyclopentadienyl)-dimethyl-di-tungsten bis(hexafluorophosphate) (ZISMAP)
  2114  (JSmol)              -566.5     -438.9       19.5   24.9   bis(Acetonitrile)-fluoro-tetramethyl-tungsten hexafluoro-tungsten (RETNAF)
  2115  (JSmol)              -692.8     -788.4       31.1   24.9   bis(Dichloro-tungstocenium) hexakis(mu-2-fluoro)-dodecakisfluoro-tetra-tungsten (JUTPET)
  2116  (JSmol)             -1481.5    -1154.4       19.6   46.4   Dodecahydroxo-dodecatungstate henicosahydrate (W4O21H18)
  2117  (JSmol)             -3315.6    -2634.3        5.2   24.7   Keggin Dodecatungstophosphoric acid hexahydrate ((H5 O2)3 P W12 O40)
  2118  (JSmol)               -30.0      -50.5       13.9   22.8   Dimethylammonium hexabromo-rhenium (COJYAB)
  2119  (JSmol)               -65.9       11.6       38.6   23.5   Pyridinium pentachloro-(pyridine)-rhenium(iv) (AKINUD)
  2126  (JSmol)               -88.2      -46.6       15.9    9.4   bis(Pyridinium) hexachloro-rhenium(iv) (GUVVIC01)
  2127  (JSmol)              -421.0     -364.7       20.3   28.9   bis(a,a'-Dithio-bis(formamidinium)) dichloride hexachloro-rhenium(iv) trihydrate (DEBJOJ)
  2128  (JSmol)               -19.0     -124.1       16.9   21.8   tetrakis(Terpyridinium) bis(aqua-tetrabromo-oxo-rhenate(v)) hexabromo-rhenate(iv) tetrabromide dihydrate (MIGDUC)
  2129  (JSmol)             -1326.9    -1327.2       15.2   24.4   tetrakis(Tetramethylthiourea)-oxo-rhenium(v) tris(hexafluorophosphate) (FIQLEW)
  2130  (JSmol)              -262.0     -201.1       22.3   24.9   tris(Tetrachlorocatecholato-O,O')-rhenium(vi) anisole solvate (FEGFUS)
  2131  (JSmol)              -115.5      -35.8       19.8   21.4   trans-bis(Pyridinium)methane di-iodo-tetrachloro-rhenium(iv) dimethylsulfoxide solvate (NOYRUO)
  2136  (JSmol)              -375.0     -416.5       16.8   16.5   Chloro-osmocenium hexafluorophosphate (WEHLEA)
  2137  (JSmol)              -705.6     -711.1       13.9   49.1   Di-potassium dioxo-bis(oxalato-O,O')-osmium(vi) dihydrate (BOGPOD)
  2138  (JSmol)              -312.5     -341.9       21.7   45.7   Dibromo-tetrakis(dimethyl sulfoxide-S)-osmium(ii) (SAWZAR)
  2139  (JSmol)               -15.1     -217.5       20.1   26.9   Dipyridinomethane cis-dibromo-tetrafluoro-osmium(iv) (NILVOT)
  2145  (JSmol)    67.8        73.2        2.7        3.5   40.9   Osmocene (Os(Cp)2) (SINWER)
  2146  (JSmol)               -91.7     -197.8       43.5   31.7   Tetraethylammonium cis-tetrachlorodifluoroosmate(v) (CAXSAV)
  2147  (JSmol)              -162.3     -261.7       26.1   26.3   Tetramethylammonium fluorotetraoxoosmate (XAKBUG)
  2148  (JSmol)              -206.2     -130.4        9.5   16.8   Tribromo-nitrosyl-diethylsulfido-(diethylsulfoxide-O)-osmium(ii) (SOGYAO)
  2149  (JSmol)               -80.3     -183.3       10.4   15.5   bis(Tetra-n-butyl-ammonium) bis(mu-2-bromo)-octabromo-di-osmium (COZZIA)
  2150  (JSmol)              -109.8     -168.7       11.5   20.5   bis(Tetra-n-butylammonium) bis(tetrabromo-osmium(iii)) (DUGLIA)
  2151  (JSmol)              -129.4     -207.2       25.0   29.3   bis(Tetra-n-butylammonium) decachloro-di-osmium(iv) (CIPTEA)
  2152  (JSmol)              -172.3     -337.0       29.5   21.7   bis(Tetramethylammonium) hexafluoro-osmium(iv) (UFEPEA)
  2153  (JSmol)                50.7      -53.2       22.5   15.2   bis(Triphenylphosphonium) hexabromo-osmium(iv) (GEBMAB)
  2154  (JSmol)              -142.7     -137.5       25.8   35.6   cis-1,2-Ethylenediamine-bis(1,2-ethylenediaminato)-osmium(iv) dibromide (BOSRUW)
  2155  (JSmol)                37.6       -7.9       16.2   11.5   mer-Tribromo-tris(pyridine)-osmium(iii) (GOBBUU)
  2156  (JSmol)              -365.9     -228.3       28.3   18.1   mu-2-Pyrazine-N,N')-decakis(ammine)-di-osmium(iii) hexachloride dihydrate (DOBGEG)
  2157  (JSmol)              -262.4     -252.1       23.8   23.3   tetrakis(mu-2-Acetato)-dichloro-di-osmium (COHNUI)
  2158  (JSmol)               -86.2     -102.1       14.4   25.3   trans-Dicarbonyl-dibromo-(2,2'-bipyridine)-osmium (NIKPED)
  2159  (JSmol)              -109.8      -77.8       23.2   19.9   trans-Tetrabromo-bis(tetrahydrothiophene)-osmium (GOMXEL)
  2160  (JSmol)              -213.0     -214.4       29.2   36.6   trans-bis(Acetylacetonato)-dibromo-osmium (RILRUZ)
  2161  (JSmol)              -322.0     -321.5       14.0   14.4   Dicarbonyl-iodo-methyl-bis(trimethylphosphine)-osmium (SUJVOI)
  2162  (JSmol)                67.0       75.3       14.1   10.2   trans-Di-iodo-tetrakis(pyridine)-osmium(ii) (TULHUD)
  2163  (JSmol)               -67.8      -53.9       16.1   15.0   trans-Dicarbonyl-di-iodo-(2,2'-bipyridine)-osmium (NIKPIH)
  2165  (JSmol)                68.0       60.0       21.0   10.7   mer-Tri-iodo-tris(pyridine)-osmium(iii) (GOBCAB)
  2166  (JSmol)                65.1      -17.9       21.4   26.4   Tetraphenylphosphonium acetylacetonato-tetra-iodo-osmium(iv) (NAPLEV)
  2167  (JSmol)              -131.2     -110.4        8.2   14.5   bis(Tetramethylammonium) tetraiodo-fluoro-nitrosyl-osmium (TEDYEG)
  2169  (JSmol)                43.2     -154.0       21.9   22.9   bromo-bis(tetramethylcyclopentadienyl)-osmium(iv) bis(mu-2-bromo)-dibromo-bis(cyclo-1,5-octadiene)-di-osmium(iii) (KEMPOI)
  2170  (JSmol)              -120.2      -11.0       20.4   72.3   (Ethylenediamine)-pyridine-trichloro-iridium(iii) (IBEFUR01)
  2171  (JSmol)              -104.9      -42.8       24.0   88.7   Dicarbonyl-(acetylacetonato-O,O')-iridium(i) (ACRHCO02)
  2172  (JSmol)              -166.6      -43.6       11.5   56.5   Ethylene-1,2-diammonium hexachloro-iridate(iv) (NAYQOU)
  2183  (JSmol)               190.1      219.1       29.7   84.1   Tetramethyl-(pentamethyl-cyclopentadienyl)-iridium (BAHWOW)
  2184  (JSmol)             26703.2     -597.0       97.6   13.7   bis((Hexa-ammine)-iridium(iii)) trioxalate tetrahydrate (XEDNID)
  2185  (JSmol)                97.7      -29.2       15.6   96.1   bis(mu-2-Chloro)-bis(1,5-cyclo-octadiene)-di-iridium(i) (QQQCXA02)
  2186  (JSmol)              -121.1      -23.8       18.0   66.8   fac-(1,4,7-Triazacyclononane-trichloro-iridium) (YAPGOL)
  2187  (JSmol)              -178.3     -237.7       25.3   59.4   fac-Tetraethylammonium trichloro-trifluoro-iridium(v) (MAKGUA)
  2188  (JSmol)              -538.7     -564.1       19.8   17.5   tris((R,R)-trans-1,2-Cyclohexanediamine-N,N')-iridium(iii) trinitrate trihydrate (ZEDKIC)
  2189  (JSmol)               -16.3       45.9       12.2   76.6   tris(1-Pyrrolidinecarbodithioato)-iridium(iii) benzene solvate (PYTCIR)
  2190  (JSmol)              -248.0      -45.7       21.3   23.6   tris(Tetrabutylammonium) trans-dibromo-tetrathiocyanato-iridium(iii) (LOFKUM)
  2191  (JSmol)                23.4        -.-       28.5    -.-   tris(dithioacetato)-iridium (CEDFEX)
  2194  (JSmol)              -226.4     -472.9       51.0   79.7   tris(mu-2-Iodo)-bis(h5-pentamethylcyclopentadienyl)-di-iridium hexafluorophosphate (GUSJEJ)
  2195  (JSmol)              -792.0     -891.5       22.6   78.3   hexakis(mu-2-Acetato)-triaqua-(mu-3-oxo)-tri-iridium(iii,iii,iv) dinitrate (ZULRUT)
  2196  (JSmol)              -486.2     -450.1       18.3   32.6   (2,2'-Bipyrimidine)-chloro-(dimethyl sulfoxide)-platinum(ii) hexafluorophosphate (USOWIJ)
  2197  (JSmol)              -205.3     -157.6       15.4    7.2   N,N,N',N'-Tetramethylethylenediammonium hexachloro-platinum(iv) (CULZOY)
  2198  (JSmol)              -111.7      -97.9       19.6   14.5   N,N,N',N'-Tetramethylethylenediammonium tetrachloro-platinum(ii) (CULZIS)
  2207  (JSmol)              -538.5     -550.8        8.3   54.1   Tetra-ammine-trans-dibromo-platinum(iv) bis(methanesulfonate) monohydrate (TARFIB)
  2208  (JSmol)               -57.1      -59.0       11.2    9.6   Tetraethylammonium tetrabromo-di-mu-bromo-diplatinum(ii) (ETABPT01)
  2209  (JSmol)              -185.6     -155.4       22.9   23.3   Zeise's salt - Potassium trichloroethylene platinate monohydrate (KCLEPT12)
  2210  (JSmol)              -102.1     -125.0       21.6   20.5   bis(1,2-Ethylenediamine-N,N')-platinum(ii) dichloride (ZZZEDM02)
  2211  (JSmol)             -2910.6    -2803.0       17.9   22.6   bis(Cucurbit(5)uril) bis(aqua-potassium) hexachloro-platinate monohydrate clathrate hydrate (OFOMEC)
  2212  (JSmol)              -286.7     -828.6       30.8   67.8   bis(Diammine-silver(i)) dioxalato-platinum(ii) (TEJKOJ)
  2213  (JSmol)              -371.3     -360.0       22.6   26.6   bis(Guanidinium) bis(oxalato)-platinum(ii) (AJESEN)
  2214  (JSmol)              -228.7     -156.6       21.4   11.9   bis(Tetramethylammonium) hexachloro-platinum(iv) (TMAMPC)
  2215  (JSmol)              -338.3     -325.3       26.0   36.1   bis(Tetramethylammonium) hexafluoroplatinate(iv) (TMAPTF01)
  2216  (JSmol)              -284.5     -167.4       18.4   14.3   bis(mu-2-Amido)-bis(tetra-ammine-platinum(iv)) hexachloride dimethylsulfoxide solvate (BOGPAO)
  2219  (JSmol)               -73.4     -154.0       20.9   25.6   Triethylsulfonium hexakis(iodo)-platinum(iv) (KIBMIS)
  2220  (JSmol)              -394.1     -380.4       20.2   29.3   (18-Crown-6)-rubidium tetrachloro-gold(iii) (DONYOU)
  2221  (JSmol)              -148.8     -212.7       32.9   28.2   (18-Crown-6)-rubidium tetracyano-gold(iii) (DONYUA)
  2222  (JSmol)              -342.6     -338.6       34.4   48.7   18-Crown-6 potassium dichloroaurate(i) (MUVTAY)
  2223  (JSmol)               109.4       65.4       35.3   26.3   2,2'-Bipyridyl potassium dicyano-gold(i) (PCAUPY)
  2224  (JSmol)                29.6       -3.4       32.2   40.2   Chloro-(1,3-dimethylimidazol-2-ylidene)-gold(i) (FIBXIY)
  2225  (JSmol)               -72.8      -64.3       19.2   32.5   Chloro-(bis(2-aminoethyl)amido)-gold(iii) perchlorate (CAEAUC)
  2226  (JSmol)                93.9       64.9       23.9   51.6   Cyano-(methylisocyanide)-gold(i) (CYMIAU)
  2227  (JSmol)               -83.1     -121.0       34.9   37.4   Dichloro-(1,2-ethanediamine)-gold(iii) nitrate (DUBNUK)
  2228  (JSmol)               -64.4      -71.5       18.9   19.3   Dichloro-(dihydroxy-di-2-pyridylmethane)-gold(iii) chloride (BATTOF)
  2229  (JSmol)              -217.0     -221.1       19.1   29.1   Dicycle 18-crown-6 potassium dicyano-gold (COXCUN)
  2230  (JSmol)               -24.9      -33.6       18.4   23.3   Dimethyl-(acetylacetonato)-gold(iii) (XIRPAQ)
  2231  (JSmol)                17.9       24.0       47.9   23.9   Dimethylgold-bis(mu-2-bromo)-dibromo-gold (MEBRAU)
  2239  (JSmol)               -62.7      -80.6       20.0   26.6   Guanidinium tetrachloro-gold(iii) (DILJIR)
  2240  (JSmol)                79.8       59.3       49.3   32.6   Tetramethylammonium auride (ICICAY)
  2241  (JSmol)               -72.6      -67.5       25.1   19.9   Tribromo-(trimethylphosphine) gold (BRMPAU)
  2242  (JSmol)               -21.2       -5.9       43.4   19.1   Tribromo-dimethylsulfido-gold(iii) (GIGWEY)
  2243  (JSmol)                74.7       60.3       32.9   75.1   bis((mu-2-Methylamido)-dimethyl-gold(iii)) (DEVLUL)
  2244  (JSmol)              -329.4     -387.5       21.2   21.0   bis(15-Crown-5)-potassium bis(1,2-dicyanoethene-1,2-dithiolato-S,S')-gold(i) (CEBHAT)
  2245  (JSmol)               -57.3      -94.3       13.0   70.6   bis(Azacyclohexadienylidene)-gold(i) chloride dihydrate (WEKKIG)
  2246  (JSmol)              -361.0     -403.7       24.7   52.8   bis(Methyl isocyanide)-gold(i) hexafluorophosphate (LUVJIV)
  2247  (JSmol)               -50.8      -82.9       18.7   47.8   bis(Thiourea)-gold(i) chloride (AFAWUZ)
  2248  (JSmol)               -47.9      -35.6       28.0   66.6   bis(mu-2-Acetato)-tetramethyl-di-gold(iii) (MIRFUP)
  2249  (JSmol)              -169.4     -216.6       14.0   17.4   bis(mu-2-bis(Dimethylphosphino)methane-P,P')-di-gold(i) dichloride dihydrate (DUKREG01)
  2250  (JSmol)              -130.9     -156.8       23.3   38.5   p-Phenylenediammonium tetrabromo-gold(iii) bromide monohydrate (GEVHAR)
  2251  (JSmol)                34.9        7.7       49.8   31.1   tetrakis((mu-2-Hydroxo)-dimethyl-gold) (DMAUHT)
  2253  (JSmol)               104.1      174.2       43.2   38.9   bis(bis(Ethylenedithio)-tetrathiafulvalene) di-iodo-gold(i) (DECCUJ02)
  2254  (JSmol)               -13.7      -62.7       24.3   34.3   Triiodo-trimethylphosphine-gold(iii) (ABANOH)
  2255  (JSmol)                61.7      -22.1       48.8   51.9   Pyridinium tetrakis(iodo)-gold(iii) (UCILUO)
  2256  (JSmol)                 9.1      -28.9       18.5   41.6   Triethylsulfonium tetraiodoaurate (GEJQIV)
  2257  (JSmol)              -370.1     -509.6       46.4   76.6   Magnesium hydrogen fluoride tetrafluoroaurate hexafluoroaurate (MgHF(AuF4)(AuF6)) (ICSD 415872)
  2258  (JSmol)              -194.3     -204.9       30.6   35.3   Tetra-ammine-palladium(ii) tetrachloro-gold(iii) (KIYVUK)
  2259  (JSmol)                17.9      -19.3       40.4   27.7   bis(mu-2-(Dimethyldimethylene-phosphoranyl-C,C))-iodomethyl-di-gold(ii) (BIBPIL)
  2260  (JSmol)                43.2      -84.2       33.5   48.3   Bromo-dimethylsulfido-gold(i) (GIGWAU)
  2261  (JSmol)              -296.5     -297.3       18.8   35.1   18-Crown-6-dibromo-mercury(II) (POLKEG)
  2262  (JSmol)              -321.7     -288.6       16.0    8.0   18-Crown-6-dichloro-mercury(II) (CESZOP)
  2274  (JSmol)               -87.9      -95.7       20.1   26.3   Tetramethylammonium mercury tribromide (TMAHGB)
  2275  (JSmol)              -483.8     -749.4       16.6   51.4   bis(15-Crown-5-sodium) bis(tetraselenido)-mercury (SANBAK)
  2276  (JSmol)              -162.7     -154.8       37.3   44.7   bis(Guanidinium) tetrabromido-mercury(ii) (JISFUN01)
  2277  (JSmol)              -144.8     -127.1       11.6    8.7   bis(Tetramethylammonium) tetrabromo-mercury(ii) (MATBHG)
  2278  (JSmol)              -377.9     -426.1       29.2   32.9   bis(tris(Dimethylamino)sulfonium) bis(mu-2-fluoro)-tetrakis(trifluoromethyl)-mercury (TUQSUT)
  2280  (JSmol)              -641.9     -726.4       19.8   20.5   (18-Crown-6)-potassium bis(trifluoromethyl)-iodo-mercury (AQEPIV)
  2281  (JSmol)                22.5       -7.6       12.1   37.3   (2,2'-Bipyridine)-di-iodo-mercury(ii) (CUDWIH)
  2282  (JSmol)              -277.5     -265.4       18.8   25.8   18-crown-6-di-iodo-mercury(ii) (DENZUR01)
  2283  (JSmol)                 9.0       -8.9       24.3   29.7   Di-iodo-dipyridine-mercury(ii) (BEJLEH)
  2287  (JSmol)              -105.0      -90.7       10.8   24.1   bis(Tetramethylammonium) tetraiodo-mercury (JOKHIA)
  2294  (JSmol)               -96.6     -140.7       17.7   28.2   Di-iodo(ethylenediamine) mercury(ii) iodo(ethylenediamine) mercury(ii) tri-iodo-mercury(ii) (ENTIHG)
  2295  (JSmol)              -189.9     -186.0       27.4   52.4   Dichloro-(18-crown-6)-thallium tetrachloro-thallate (XORQIE)
  2309  (JSmol)              -599.5     -578.0       13.6   45.8   bis(15-Crown-5)-rubidium tetrabromo-thallium (HEWNAY)
  2310  (JSmol)              -153.1      -86.6       28.4   47.7   bis(Diamino-3-pyridinium) pentachloro thallium (PEVXEU)
  2311  (JSmol)              -445.3     -606.8       25.5   35.2   bis(2,2,2-Crypt-potassium) dithallium-ditellurium ethylenediamine solvate (BAKYIV)
  2312  (JSmol)             -1272.3    -1798.7       33.6   34.7   bis(Mesitylene)-thallium tetrateflate-boron (FIVCOC)
  2314  (JSmol)              -127.0     -179.2       25.0   29.4   (18-Crown-6)-di-iodo-thallium tetra-iodo-thallium (ZEZFAL)
  2320  (JSmol)              -378.6     -382.1       25.0   11.5   18-Crown-6-dibromo-lead(ii) (RUMQEV)
  2321  (JSmol)              -353.0     -360.8       32.7   27.7   18-Crown-6-dichloro-lead(ii) (NOMJUV)
  2324  (JSmol)              -280.3     -303.9       38.9   17.9   Catena-((mu-4-Ethane-1,2-disulfonato-O,O',O'',O''')-bis(mu-3-fluoro)-di-lead(ii)) (TIQGAC)
  2326  (JSmol)              -505.8     -495.0       21.9   18.5   Chloro-(18-crown-6)-lead hexachloroantimony (HARBOR)
  2328  (JSmol)              -337.7     -401.1       27.8   31.0   Descloizite (PbZn(VO4)(OH))
  2333  (JSmol)              -148.5     -142.9       37.2   67.3   Lead oxide hydrate (PbO2H2)
  2346  (JSmol)              -386.5     -363.5       37.0   38.6   bis((mu-2-Tetrafluoroborato-F,F')-(nu-5-pentamethyl-cyclopentadienyl))-lead (VALVOT)
  2347  (JSmol)              -118.5     -174.6       31.1   66.7   catena-(3,3'-Dichlorobenzidinedi-ium bis(mu-3-chloro)-bis(mu-2-chloro)-dichloro-di-lead(ii)) (COCPAM)
  2348  (JSmol)              -304.3     -326.0       12.6   32.8   18-crown-6-diiodo-lead(II) (TOJPIR)
  2350  (JSmol)               -76.9      -80.9        9.9   26.1   Tetramethylammonium catena(tri-iodo-lead(ii)) (CERBUW)
  2356  (JSmol)              -874.0     -694.8       16.0   17.5   bis(tris(Ethylenediamine)-cobalt(iii)) catena(bis(mu-2-chloro)-heptachloro-di-lead(ii)) chloride trihydrate (ENCOPB)
  2357  (JSmol)              -691.6     -727.4        5.6   11.4   catena-[heptakis(Ethylene-1,2-diammonium) bis(oxalate) hexakis(mu-2-iodo)-dodecaiodo-tetra-lead tetrahydrate] (CEWCEN)
  2360  (JSmol)              -284.0     -298.0       18.2   17.5   Trilead dihydroxide dioxide (Pb3O4H2)
  2361  (JSmol)              -697.2     -905.0       11.8   45.5   catena-(tetrakis(Propane-1,3-diammonium) tetrakis(mu-2-bromo)-decabromo-tri-lead(ii) dihydrate) (CAKDIB)
  2365  (JSmol)              -995.3    -1596.5       22.0   58.7   Pyromorphite (Pb5(PO4)3(OH))
  2367  (JSmol)             -4394.4        -.-       31.2    -.-   Boleite (KPb26Ag9Cu24Cl62(OH)48)
  2377  (JSmol)              -576.4     -841.5        6.8   50.5   Dipotassium (pentaformato-O,O')-bismuth (CAVZUU)
  2379  (JSmol)              -397.8     -372.0       19.0   11.2   Nitrato-pentakis(thiourea)-bismuth(iii) dinitrate monohydrate (CELJIM)
  2380  (JSmol)             -1505.5    -1455.7       28.5   16.5   Nona-aqua-bismuth(iii) tris(triflate) (ZEZTUT)
  2381  (JSmol)              -899.2     -932.9       17.0   26.9   Potassium 18-crown-6 tris(perfluorophenylthiolato)-isothiocyanato-bismuth(iii) (YULBEM)
  2385  (JSmol)               -17.5      -31.8       25.2   27.9   bis((mu-2-Bromo)-2,2'-bipyridine-dibromo-bismuth(iii)) acetonitrile solvate (PURQAU)
  2386  (JSmol)              -348.8     -292.2       77.1   76.0   bis(Dichloro-(18-crown-6)-bismuth(iii)) bis(mu-2-chloro)-bis(trichloro-bismuth(iii)) (KAMWOK)
  2387  (JSmol)              -338.5     -412.0       28.5   41.1   bis(Ethylenediammonium) hexabromo-bismuth(iii) bromide monohydrate (YINDUV)
  2388  (JSmol)               527.6      520.1       21.1   21.9   bis(Phthalocyaninato)-bismuth(iii) dichloromethane solvate (ZUWDAW)
  2389  (JSmol)              -195.7     -184.5       19.5   23.4   catena-((18-Crown-6)-dibromo-bismuth(iii) bis(mu-2-bromo)-dibromo-bismuth(iii)) (KOZMAN)
  2390  (JSmol)              -274.6     -232.2       34.6   27.9   catena-(Pentamethylenediammonium (mu-2-chloro)-tetrachloro-bismuth(iii)) (ACIKED)
  2391  (JSmol)              -586.0     -931.0       19.5   64.0   catena-(bis(18-Crown-6-potassium) bis(mu-4-thiocyanato-S,S,S,S,N)-bis(mu-2-thiocyanato-S,N)-bis(mu-2-isothiocyanato-N,S)-bismuth-potassium) (WETRIW)
  2392  (JSmol)              -408.1     -400.8       17.9   28.6   catena-(bis(Ammonium 18-crown-6 (mu2-chloro)-dichloro-(mu-2-thiocyanato-S,N)-bismuth)) (VEJREH)
  2393  (JSmol)              -908.9     -909.5       23.7   28.8   catena-(tris(1,2-ethanediaminium) bis(mu-2-sulfato)-bis(mu-2-sulfato)-bis(sulfato-diaqua-di-bismuth tetrahydrate (LOHDES)
  2394  (JSmol)                42.3       37.2       16.5   17.9   mer-Tri-iodo-tripyridyl-bismuth(iii) pyridine solvate (BIMCUV)
  2395  (JSmol)              -139.8     -118.0       21.6   17.4   tetrakis(2,2'-Bipyridinium) tetrakis((mu-2-chloro)-tetrachloro-bismuthate(iii)) (PURLOD01)
  2396  (JSmol)              -262.6     -263.4       15.2   17.5   tris(Diethylammonium) hexabromo-bismuth(iii) (DEJLUZ)
  2400  (JSmol)              -807.8     -669.1       21.6    6.5   catena(tris(Guanidinium) trichloro-tris(oxalato-O,O')-di-bismuth(iii)) (CAHMAZ)
  2401  (JSmol)              -264.5     -573.1       25.8   58.7   tris(Guanidinium) tris(mu-2-bromo)-hexabromo-di-bismuth(iii) (ICUMUP)
  2402  (JSmol)              -184.9     -215.9       38.6   38.1   tris(Guanidinium) tris(mu-2-iodo)-hexaiodo-di-bismuth(iii) (LOFROO)
  2403  (JSmol)              -882.2    -1529.4       30.0   81.0   (mu-2-Dibismuthide)-diammine-bis(18-crown-6)-di-cesium ammonia solvate (SAJROL)
  2405  (JSmol)              -642.2     -659.3       31.7   20.4   Potassium octapyridinium tris(hexachlorobismuthate(iii)) (BIPGAJ)