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 1334 Carbon-containing Solids predicted using PM7 and PM6-D3H4 with X-Ray

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

Average unsigned error in PM7 HoF: 11.73 kcal/mol, for 120 solids
Average unsigned error in PM6-D3H4 HoF: 28.03 kcal/mol, for 118 solids

     #     GUI   Heat of formation (Kcal/formula unit) Geometry        Species
                    Ref.        PM7     PM6-D3H4      PM7 PM6-D3H4 
     6  (JSmol)                 9.7        8.2        0.1    3.4   Glitter (C)
     7  (JSmol)     0.0         0.4        0.1        2.5    8.2   Graphite (C)
     8  (JSmol)                 5.0        1.9        4.3    7.3   Lonsdaleite (C)
     9  (JSmol)                 6.6        3.0        0.4    2.9   bct-Carbon (C)
    10  (JSmol)                 6.8        3.2        0.2    2.8   bct-Carbon P=20Gp (C)
    11  (JSmol)               -17.2       -4.4        5.6    7.5   Tetradeuteromethane (ZZZWEQ14)
    12  (JSmol)                 7.8        1.5        0.6    3.6   Diamond (C)
    13  (JSmol)                -2.7       23.1        7.8   13.9   Lithium acetylide (Li2C2) (ICSD 89535)
    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)
    47  (JSmol)               793.5      751.3        8.9    7.4   Buckminsterfullerene (C60)
    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)
    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)
   129  (JSmol)               -88.7      -89.9        7.7   23.2   Carbon dioxide (CO2) (ICSD 16428)
   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)
   174  (JSmol)  -290.6      -300.5     -286.5       29.7   43.5   Zabuyelite Li2CO3
   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)
   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)
   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)
   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)
   320  (JSmol)              -137.3     -137.1       47.8   14.1   p-Fluorobenzoic acid (PFBZAD01)
   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)
   330  (JSmol)              -250.9     -245.0       14.0   21.1   Hexafluorobenzene (HFBENZ02)
   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)
   336  (JSmol)     5.3       -14.5        0.3       36.7   14.8   Sodium acetylide (Na2C2) (ICSD 28066)
   338  (JSmol)   -21.7       -53.8      -56.4       35.0   21.3   Sodium cyanide (NaCN) (ICSD 77172)
   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)
   350  (JSmol)              -264.2     -308.9       19.8   39.3   Natrite (Na2CO3)
   351  (JSmol)              -323.7     -338.5       17.6   47.7   Thermonatrite (Na2CO3(H2O))
   352  (JSmol)              -301.3     -380.5       14.9   47.1   Natroxalate (Na2(C2O4))
   354  (JSmol)              -464.7     -544.5       19.0   50.8   Warfarin (EFIWIZ01)
   357  (JSmol)              -613.7        -.-       22.7    -.-   Trona (NaHCO3) (Na2CO3) 2(H2O)
   359  (JSmol)                 7.8       24.2       14.7    8.4   Magnesium acetylide (MgC2) (ICSD 88057)
   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)
   364  (JSmol)  -265.7      -267.0     -229.7       17.6    4.7   Magnesite (MgCO3)
   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)
   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
   396  (JSmol)   -15.2       -25.0      -40.5       13.1    7.1   Moissanite (SiC)
   397  (JSmol)   -15.2       -26.0      -38.4       12.6    1.8   Silicon carbide (SiC)
   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)
   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)
   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)
   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)
   462  (JSmol)              -363.9     -348.4       40.1   11.6   tetrakis(Trifluoromethyl)diphosphane (HIRCEQ)
   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)
   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)
   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)
   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)
   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)
   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)
   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
   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
   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
   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
   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)
   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
   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)
   585  (JSmol)               -14.0       -5.0       21.4   14.0   p-Chloroaniline (CLANIC05)
   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)
   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)
   605  (JSmol)              -213.3     -195.6       11.8    5.1   Indomethacin nicotinamide
   607  (JSmol)              -249.7     -229.2       18.4   12.5   Indometacine caffeine
   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
   627  (JSmol)                 5.7       24.6       30.0   10.7   o-Tetrachlorodicyanobenzene (BAWMUH01)
   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)
   630  (JSmol)               -46.4      -33.3       23.2   16.1   Tetrachloro-p-benzoquinone (TCBENQ07)
   631  (JSmol)              -288.1     -251.3       16.7   11.5   Beryllium chloride diethyl ether solvate (ETBECL)
   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
   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)
   656  (JSmol)   -33.9       -68.1      -24.0       60.3   21.8   Hexachlorobenzene (HCLBNZ13)
   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(-)]
   663  (JSmol)                12.0      -20.6       36.7   26.6   Potassium acetylide (K2C2) (ICSD 89528)
   666  (JSmol)   -24.9        -7.3      -76.3       21.7   17.1   Potassium cyanide (KCN) (ICSD 27350)
   668  (JSmol)  -162.4      -146.1     -163.3       17.6   12.9   Potassium formate (POTFRM)
   675  (JSmol)  -230.2      -211.8     -240.1       25.2   58.8   Kalicinite (KHCO3)
   676  (JSmol)              -135.7     -185.9       20.8   37.7   catena-((mu-8-Rhodizonato)-di-potassium) (ZZZHDA01)
   678  (JSmol)              -282.5     -288.5       20.1   23.2   Potassium hydrogen acetate
   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)
   690  (JSmol)              -800.1     -781.4       22.5   23.8   Potassium adenosine-5'-diphosphate dihydrate (KADPHD02)
   694  (JSmol)              -661.2     -652.9        9.2   11.3   Nonactin-potassium thiocyanate (NONKCS)
   700  (JSmol)             -3530.5    -4103.5       18.2   37.5   Hanksite (KCl)2(Na2O)22(SO3)18(CO2)4
   703  (JSmol)  -275.1      -245.6     -320.2       22.1   17.4   Potassium carbonate (K2CO3) (ICSD 10191)
   704  (JSmol)  -275.1      -245.5     -319.8       13.0   12.5   Potassium carbonate (K2CO3) (ICSD 1816695)
   705  (JSmol)  -275.1      -245.2     -326.7       22.0   19.8   Potassium carbonate (hexagonal) (K2CO3) (ICSD 1816694)
   706  (JSmol)  -321.7      -285.6     -364.3       17.4    7.5   Potassium oxalate (QQQAZJ05)
   707  (JSmol)              -382.4     -405.6       23.1   39.3   catena-((mu-8-Croconato)-di-aqua-di-potassium) (XEYYUV)
   716  (JSmol)             -1270.3    -1327.6       30.8   27.9   Potassium beryllium bis(malonate) hemihydrate (MALBEK)
   719  (JSmol)   -14.3        10.1     -111.9       17.7   74.5   Calcium acetylide (CaC2) (ICSD 411190)
   722  (JSmol)  -288.7      -316.5     -275.0       29.5   21.4   Aragonite (CaCO3)
   723  (JSmol)  -288.6      -320.3     -278.0       33.6    9.4   Calcite (CaCO3) (ICSD 52151)
   724  (JSmol)              -318.2     -276.4       38.4   18.9   Vaterite (CaCO3)
   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))
   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)
   736  (JSmol)              -699.2     -720.9       15.9   24.3   Gaylussite CaNa2(CO3)2 5(H2O)
   737  (JSmol)  -556.0      -589.7     -524.6       28.1   10.8   Dolomite (CaMg(CO3)2)
   738  (JSmol)             -1109.0     -976.4       24.4    7.7   Huntite (CaMg3 (CO3)4)
   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)
   767  (JSmol)             -2430.5    -2306.9       21.5   22.5   Cucurbituril calcium bisulfate sulfuric acid tridecahydrate (BEBDOB)
   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)
   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)
   825  (JSmol)              -187.7     -231.8       33.1    8.2   Hexacarbonyl-vanadium (FONGUK)
   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)
   847  (JSmol)              -235.7     -263.2       40.7   21.5   Chromium hexacarbonyl (Cr(CO)6))
   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)
   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)
   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)
   897  (JSmol)  -213.7      -159.6     -107.2       37.0   79.3   Rhodochrosite (MnCO3)
   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)
   920  (JSmol)  -177.0      -165.6     -214.9       39.1   45.0   Siderite (FeCO3)
   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)
   931  (JSmol)               -38.2      -64.3       33.9   32.4   Ferricinium tetrachloro-iron(iii) (FERRIC)
   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)
   938  (JSmol)   -59.7       -88.2     -255.0       19.1   38.1   Potassium hexacyanoferrate (K3Fe(CN)6) (ICSD 23047)
   943  (JSmol)              -635.0     -538.6       22.5   25.1   Aqua-chloro-(15-crown-5)-iron(ii) oxonium tetrachloro-iron(ii) monohydrate (XEQGUV)
   944  (JSmol)              -182.4     -166.3       10.0   46.6   Prussian blue (KFe(II)Fe(III)(CN)6)
   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)
   951  (JSmol)  -170.4      -109.4        -.-       28.9    -.-   Cobalt carbonate(CoCO3) (ICSD 52377)
   952  (JSmol)              -332.6     -340.7       27.6   68.9   Cobalt diformate dihydrate (Co(HCO2)2(H2O)2) (ICSD 109960)
   956  (JSmol)               -94.6       20.7       17.4   60.5   Hexamminecobalt(iii) hexacyanocobaltate(iii) (Co(NH3)6 Co(CN)6) (ICSD 2560)
   957  (JSmol)              -223.0     -370.7       28.1   96.0   Lithium tetracarbonyl-cobalt (FUBYUW)
   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)
   964  (JSmol)              -213.9     -393.7       46.2   94.9   Sodium tetracarbonyl-cobalt (FUBYOQ)
   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)
   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)
   979  (JSmol)              -212.5     -522.4       48.5   96.9   Potassium tetracarbonyl-cobalt (FUBZAD)
   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)
   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)
  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)
  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)
  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)
  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)
  1062  (JSmol)              -256.1     -269.3       29.7   23.2   Malachite (Cu2CO3(OH)2)
  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))
  1068  (JSmol)  -194.3      -164.9     -181.9       15.7   13.8   Smithsonite (ZnCO3)
  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)
  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)
  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)
  1141  (JSmol)              -726.4     -760.6       17.1   16.7   bis((h5-Cyclopentadienyl)-(mu-2-fluoro)-(pentafluoro-arsenic))-vanadium(iv) (VUFFIL)
  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)
  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)
  1159  (JSmol)               -93.7     -142.6       14.9   35.0   Potassium 1,2-diseleno-oxalate (SEOXAK)
  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)
  1170  (JSmol)              -228.1     -196.0       15.4   17.0   Ethyl magnesium bromide diethyletherate (EMGBRE10)
  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)
  1182  (JSmol)               -85.5      -81.5       25.8   20.1   V (BOQWIN)
  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)
  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)
  1252  (JSmol)                15.1       -2.7       12.4   20.2   Hexabromobenzene (HBRBEN02)
  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)
  1263  (JSmol)                 8.5       11.6       59.2   50.1   Rubidium acetylide (Rb2C2) (ICSD 51529)
  1268  (JSmol)              -175.7     -139.4       35.0   49.2   Rubidium formate (RbHCO2) (ICSD 172203)
  1272  (JSmol)              -157.5     -137.0       63.1   59.0   Rubidium oxalate (Rb2C2O4) (ICSD 1003511)
  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)
  1283  (JSmol)  -271.5      -264.3     -232.1       59.6   51.4   Rubidium carbonate (Rb2CO3) (ICSD 414122)
  1288  (JSmol)              -383.5     -393.7       59.4   57.1   Rubidium fluoride carbonate (Rb3FCO3) (ICSD 66029)
  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)
  1293  (JSmol)  -291.6      -296.7     -254.8       33.3   22.5   Strontianite (SrCO3)
  1296  (JSmol)  -333.0      -332.7     -297.9       35.9   34.0   Strontium formate (SrC2H2O4) (ICSD 249198)
  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)
  1386  (JSmol)  -234.9      -226.0     -259.4       32.2   10.8   Molybdenum hexacarbonyl (Mo(CO)6) (ICSD 30809)
  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)
  1494  (JSmol)              -280.3     -988.5       81.1    -.-   Potassium silver carbonate (KAgCO3) (ICSD 1903697)
  1496  (JSmol)                32.8       62.4       85.2   85.7   Silver cyanide (AgCN)
  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)
  1514  (JSmol)              -206.0    -1019.0       81.5   92.8   bis(mu-2-Trifluoroacetato-O,O')-di-silver (AGTFAC01)
  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)
  1521  (JSmol)              -310.5    -1268.8       73.7   98.0   tetrakis((mu-2-trans-Perfluoro-1-methyl-1-propenyl)-silver) (LAJJEL)
  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)
  1530  (JSmol)  -120.9      -216.9     -857.9       98.4   91.4   Silver carbonate (Ag2CO3)
  1533  (JSmol)              -209.7        -.-       59.9    -.-   Silver(i) syn-anti-methane-disulfonate (MEDSUL)
  1534  (JSmol)  -160.9      -152.1        -.-       92.4    -.-   catena((mu-6-Oxalato)-di-silver) (AGOXAL)
  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)
  1538  (JSmol)                51.4     -773.9       89.3   96.9   Acetylide-octa-silver hexanitrate (SOVNEW01)
  1548  (JSmol)  -179.4      -177.5     -165.7       16.1   31.5   Otavite (CdCO3)
  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)
  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)
  1636  (JSmol)              -881.5     -913.8       21.9   16.0   bis((mu-2-Oxo)-(mu-2-trifluoroacetato-O,O')-trifluoro-antimony(v)) (OFAFSB01)
  1637  (JSmol)               -58.9      -49.3       12.3    9.7   bis(Dimethyldibromo-antimony)methane (CEHGAX)
  1638  (JSmol)             -1013.7     -987.3       15.1   15.1   Hexacarbonyl-ruthenium(ii) bis(hexafluoroantimonate(v)) (LARPAW)
  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)
  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)
  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)
  1681  (JSmol)               -32.5      -16.0       47.2   71.6   Iodo-(1,4,7-trithiacyclononane-S,S',S'')-copper(i) (FITDUH)
  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)
  1747  (JSmol)    43.3        35.8       16.5       12.2   29.9   Iodoform (CHI3) (IODOFO)
  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)
  1771  (JSmol)                59.5       34.5       32.0   30.5   Carbon tetraiodide (ZZZKDW01)
  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)
  1791  (JSmol)               117.6       60.4       13.5   21.5   Hexaiodobenzene (HIBENZ11)
  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)
  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)
  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)
  1835  (JSmol)  -272.4      -256.1     -354.4       22.1   16.1   Cesium carbonate (Cs2CO3) (ICSD 14156)
  1839  (JSmol)              -180.9     -257.4       26.1   49.7   Dicesium potassium hexacyano-iron(iii) (JIHPAR)
  1842  (JSmol)              -485.6     -726.7       21.4   41.7   (18-Crown-6)-bis(perchlorato)-barium (MIFNUL)
  1859  (JSmol)              -651.3     -873.8       11.3   45.9   Barium oxalate oxalic acid dihydrate (BAHOXH11)
  1863  (JSmol)              -564.9     -744.9       26.6   53.8   Barytocalcite (CaCa(CO3)2)
  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)
  1869  (JSmol)              -903.4     -986.8       31.8   39.9   Podlesnoite (BaCa2(CO3)2F2)
  1870  (JSmol)  -289.9      -252.2     -445.8        7.2   65.0   Witherite (BaCO3)
  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)
  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)
  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)
  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)
  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)
  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)
  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)
  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)
  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)
  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)
  1975  (JSmol)              -261.3     -540.5       23.1   24.2   Dy Complex Sparkle (QQQEMM01)
  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)
  1984  (JSmol)              -258.6     -529.5       41.6   33.5   Ho Complex Sparkle (XEWVIE)
  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)
  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)
  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)
  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)
  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)
  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)
  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)
  2134  (JSmol)              -746.4     -654.2       26.3   33.3   Hexacarbonyl-rhenium(i) (mu-2-fluoro)-bis(pentafluoro-rhenium(v)) (FUZJOZ)
  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)
  2168  (JSmol)              -305.8     -321.4       22.4   19.7   fac-Cesium trichloro-tricarbonyl-osmium(ii) (PENJOO)
  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)
  2235  (JSmol)                15.2       57.7       60.3   38.3   Gold(i) cyanide(AuCN)
  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)
  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)
  2273  (JSmol)    -7.7        27.2     -108.3       10.4    9.8   Potassium tetracyanomercurate (K2Hg(CN)4) (ICSD 62084)
  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)
  2315  (JSmol)  -167.3      -153.5     -229.2       41.3   41.8   Thallium(i) carbonate (Tl2CO3) (ICSD 4239)
  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)
  2325  (JSmol)  -167.1      -185.2     -193.5       21.9   41.3   Cerussite (PbCO3)
  2326  (JSmol)              -505.8     -495.0       21.9   18.5   Chloro-(18-crown-6)-lead hexachloroantimony (HARBOR)
  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)
  2355  (JSmol)              -257.5     -354.6       23.3   77.1   Phosgenite (Pb2(CO3)Cl2)
  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)
  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)
  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)
  2404  (JSmol)             -1795.2    -1790.6       29.4   20.0   Difluoro-tris(pentafluorophenyl)-bismuth bis(tris(pentafluorophenyl)-bismuth) (SETNOU)
  2405  (JSmol)              -642.2     -659.3       31.7   20.4   Potassium octapyridinium tris(hexachlorobismuthate(iii)) (BIPGAJ)