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 847 Nitrogen-containing Solids predicted using PM7 and PM6-D3H4 with X-Ray

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

Average unsigned error in PM7 HoF: 12.99 kcal/mol, for 75 solids
Average unsigned error in PM6-D3H4 HoF: 125.69 kcal/mol, for 75 solids

     #     GUI   Heat of formation (Kcal/formula unit) Geometry        Species
                    Ref.        PM7     PM6-D3H4      PM7 PM6-D3H4 
    48  (JSmol)   -42.9       -17.2      -74.0       27.6   17.8   Lithium amide (LiNH2) (ICSD 51679)
    49  (JSmol)   -60.8       -58.1      -76.9       14.1    2.9   Boron Nitride (BN)
    50  (JSmol)               -47.8      -34.4       10.2   42.4   BH3NH3
    51  (JSmol)                -9.6       -4.4       21.5   21.2   Piperazine
    52  (JSmol)                -1.5       -1.1       23.1   20.3   Triethylenediamine (TETDAM)
    53  (JSmol)                 4.3        7.8       24.9   25.1   XI Azetidine (XATMOV)
    54  (JSmol)   -34.1       -44.6      -25.6       18.9   22.0   (Trimethylamine)-borane (ZZZVPE02)
    55  (JSmol)   -67.9       -74.3      -44.5       31.4   25.9   Aminetrimethylborane (RIJHIB)
    56  (JSmol)                17.5       19.1       23.3   13.4   Pyridine (PYRDNA03)
    57  (JSmol)               -11.2       -1.1       21.3   28.9   m-Toluidine (FANDOO)
    58  (JSmol)                -6.6        6.3       23.8   19.5   N N'-(6 6'-dimethylbiphenyl-2 2'-diyl)bis(methylamine) (ENIWIH)
    59  (JSmol)     0.0        30.0       36.8       14.3   15.8   Nitrogen (N2) (ICSD 15472)
    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)
    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)
   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)
   186  (JSmol)  -115.5      -114.5     -114.5        5.7   19.6   Lithium nitrate (LiNO3) (ICSD 67981)
   187  (JSmol)  -203.0      -215.8     -236.1       18.2   22.0   NH4HCO3
   188  (JSmol)              -186.3     -182.6        8.2   14.0   N-Acetyl-L-leucine -NH-COH- (ACLLEU)
   189  (JSmol)              -166.8     -161.5       13.6   22.0   N-Acetyl-L-leucine -NH2-CO- (ACLLEU)
   190  (JSmol)              -156.6     -153.0        9.5    6.5   4-Acetamidobenzoic acid
   191  (JSmol)  -163.9      -172.4     -184.3       22.7   17.8   Tyrosine (LTYROS10)
   192  (JSmol)              -178.6     -159.2       22.6   21.8   Tetramethylammonium benzoate monohydrate (ISIHIB)
   193  (JSmol)   -87.4      -105.4     -143.4       13.9   29.0   Ammonium nitrate (NH4NO3)
   194  (JSmol)               -54.4      -55.4       22.6   25.1   3-Nitrobenzamide (JACYOB)
   195  (JSmol)              -146.9     -108.1       22.1   28.2   m-Cresol N,N,N',N'-tetraisopropyloxamide (DUGRIG)
   196  (JSmol)  -168.2      -172.2     -164.3       11.0   15.4   Cyanuric acid (CYURAC12)
   197  (JSmol)              -121.4     -129.8       17.3   12.0   5-Nitrouracilate L-histidinium
   198  (JSmol)               -26.2      -24.4       24.1   15.0   s-Trinitrobenzene-s-triaminobenzene (NIBZAM)
   199  (JSmol)              -159.3     -152.0       15.2   15.0   5-Formato uracil (POWBAF)
   200  (JSmol)              -118.0     -106.1       13.9   18.1   2-(2-(3-Carboxypyridyl))-4-isopropyl-4-methyl-5-oxo-imidazole (JAZCOC01)
   201  (JSmol)  -147.9      -145.1     -148.9        9.9   15.3   Uric acid (URICAC)
   202  (JSmol)              -168.1     -148.7       22.0   15.0   Theophylline urea
   203  (JSmol)              -124.7     -108.1       14.0   12.4   Theophylline isonicotinamide
   204  (JSmol)              -212.7     -174.3        8.9   12.0   Cyanuric acid-Melamine (QACSUI)
   222  (JSmol)              -125.7     -134.6       29.4   31.4   Oxonium nitrate (H3O NO3) (ICSD 1900)
   223  (JSmol)  -232.6      -238.2     -255.8       19.4   21.8   Aspartic acid (LASPRT)
   224  (JSmol)              -180.3     -179.5       17.3   10.7   Dinicotinic acid (DINICA10)
   225  (JSmol)              -211.7     -211.3       11.4   15.9   Ammonium hydrogen benzoate (AMHBZO)
   226  (JSmol)              -185.0     -182.9       17.7   19.3   4-(Dimethylamino)pyridinium hydrogen maleate (GUKVUE)
   227  (JSmol)              -234.3     -241.0       19.7   23.0   1-diazonia-4-azabicyclo[2.2.2]octane glutarate (UNEFIC)
   228  (JSmol)              -188.7     -186.0       16.9   15.0   4-Hydroxybenzoic acid isonicotinamide (VAKTOR)
   229  (JSmol)              -185.8     -179.3       14.4   12.9   Isonicotinamide 3-hydroxybenzoic acid (LUNMEM)
   230  (JSmol)              -158.4     -157.4       25.4   24.0   bis(Pyridine) fumaric acid (GUKWOZ)
   231  (JSmol)              -178.8     -174.5       21.4   23.3   4-(Dimethylamino)pyridinium hydrogen phthalate (GUKVOY)
   232  (JSmol)              -249.7     -228.3       20.7   38.0   1,4-diazabicyclo[2.2.2]octane azelaic acid (UNEGEZ)
   233  (JSmol)              -264.0     -250.7       22.0   19.4   Resorcinol bis(caprolactam) (QQQGHM01)
   234  (JSmol)              -259.1     -244.7       24.2   16.7   4,4'-Biphenol bis(caprolactam) (KEWZUI)
   235  (JSmol)              -139.5     -139.3       15.5   12.6   Urea nitrate (UREANT02)
   236  (JSmol)              -119.1     -119.4       17.3   16.0   5-Nitrouracil
   237  (JSmol)              -244.3     -258.2       15.3   13.2   L-Histidinium acetate (POPGIK)
   238  (JSmol)              -123.7     -119.0       19.9   13.9   4-Aminobenzoic acid 4-nitroaniline (RILJEB)
   239  (JSmol)              -105.8     -112.1       14.3   17.5   Creatininium nitrate (FETNUO)
   240  (JSmol)              -214.5     -210.4        7.5   25.6   Uric acid monohydrate (GEJQAO)
   241  (JSmol)              -173.4     -167.3       20.0   15.1   bis(Caffeine) oxalic acid (GANXUP)
   242  (JSmol)              -122.7     -124.2       13.4   13.9   Nevirapine 1,4-dioxane
   243  (JSmol)              -177.0     -166.5       20.1   17.6   bis(4-(Dimethylamino)pyridinium) terephthalate (GUKWAL)
   244  (JSmol)              -129.9     -119.9       10.0    7.4   5-Nitrouracil piperazine
   245  (JSmol)              -163.1     -162.1       18.7    7.9   Adenosine (ADENOS11)
   246  (JSmol)                 6.4        9.4       11.6   11.4   m-Diaminobenzene (REDDEJ)
   247  (JSmol)              -184.6     -172.2       15.0   23.3   Theophylline 4-aminobenzoic acid
   248  (JSmol)               -67.8      -68.5       26.1   17.1   5-Nitrouracil triphenylguanidinium
   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)
   275  (JSmol)              -287.4     -268.0       40.1   31.9   Nitric acid trihydrate (HNO3 (H2O)3) (ICSD 1902)
   276  (JSmol)              -108.1     -108.0       18.0   29.8   3,5-Dinitro-4-methylbenzoic acid (NOMBEA01)
   277  (JSmol)              -271.2     -271.2       22.7   17.6   4,4'-Bipyridyl-racemic tartaric acid
   278  (JSmol)   -15.1       -17.2      -18.6       20.8   28.2   Trinitrotoluene (ZZZMUC01)
   279  (JSmol)              -384.6     -426.9       22.4   17.1   Lysine aspartate (LYSASP)
   280  (JSmol)              -407.2     -438.0       14.5   17.7   L-Lysine D-glutamate (JAVSII)
   281  (JSmol)               -99.9     -104.8       19.4   17.2   Bis(3,5-Dinitro-4-methylbenzoic acid) 1,2-bis(4-pyridyl)ethane (LAPTUS)
   282  (JSmol)              -388.8     -354.2       26.9   13.4   bis(Urea) oxalic acid (UROXAL01)
   283  (JSmol)              -410.8     -380.1       19.0   21.2   Succinic acid bis(urea) (VEJXAJ)
   284  (JSmol)              -265.8     -261.9       21.5   20.8   Theophylline phthalic acid
   285  (JSmol)              -293.3     -286.8       12.6   19.3   Malonic acid bis(isonicotinamide) (ULAWEJ)
   286  (JSmol)              -262.1     -255.2       17.8   17.1   Theophylline aspirin
   287  (JSmol)              -234.0     -218.7       22.5   15.3   tris(4,4'-Biphenol) bis(2-aminopyridine) (KEXBAR)
   288  (JSmol)    18.9        -2.1      -17.9        8.6   12.6   Cyclotrimethylene-trinitramine (RDX)
   289  (JSmol)              -260.0     -232.6       21.3   15.8   5-Nitrouracilate diphenylguanidinium dihydrate
   290  (JSmol)              -312.0     -271.8       10.9    7.8   Caffeine monohydrate (CAFINE01)
   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)
   309  (JSmol)              -500.5     -502.0       19.1   13.4   Aconitine (ACONTO10)
   310  (JSmol)               -43.9      -35.2       21.9   14.1   Nevirapine hemihydrate
   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)
   316  (JSmol)             -1153.9    -1140.1       17.5   26.3   Tennis ball (ZIWSON)
   319  (JSmol)  -110.9       -80.3      -69.7       49.1   58.8   Ammonium fluoride (NH4F)
   325  (JSmol)  -323.6      -320.4     -312.2       21.5   23.8   Ammonia - boron trifluoride (NH3BF3) (ICSD 94885)
   328  (JSmol)              -421.6     -387.7       19.4   17.6   Ethylenediammonium orthofluoroberyllate (KIPPEE)
   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)
   337  (JSmol)               -49.2        7.1       33.8   80.9   Sodium amide (NaNH2) (ICSD 14007)
   338  (JSmol)   -21.7       -53.8      -56.4       35.0   21.3   Sodium cyanide (NaCN) (ICSD 77172)
   341  (JSmol)  -111.8      -103.7     -163.4       30.1   36.9   Nitratine (NaNO3)
   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)
   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)
   366  (JSmol)  -189.0      -152.2     -161.2       23.0   22.6   Magnesium nitrate (Mg(NO3)2) (ICSD 381463)
   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)
   374  (JSmol)   -76.0       -76.6      -43.6       54.5    2.0   Aluminum nitride (AlN)
   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)
   409  (JSmol)  -640.9      -614.2     -581.2       35.9   31.5   Ammonium hexafluorosilicate (2(NH4)SiF6) (ICSD 1120016)
   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)
   453  (JSmol)  -273.7      -336.6     -341.2       27.5   17.2   Ammonium dihydrogenphosphate (NH4 H2PO4)
   454  (JSmol)  -374.5      -355.3     -387.1       28.9   35.0   Ammonium hydrogen phosphate ((NH4)2HPO4) (ICSD 2799)
   455  (JSmol)              -370.3     -363.5       28.3   36.1   N(Me)4H2PO4 H2O (FIJHEL)
   456  (JSmol)              -416.7     -428.0       25.0   23.5   DL-2-Amino-4-phosphonobutyric acid monohydrate (CAXDIO01)
   458  (JSmol)              -510.4     -485.8        9.2   15.4   Phosphatidylcholine (LYPCHL)
   459  (JSmol)              -532.5     -521.9       21.2   19.7   Adenosine-3'-phosphate dihydrate (ADPOSD)
   463  (JSmol)              -714.2     -707.4       14.4   20.1   (2)-(N,N'-Diethyl-4,4'-bipyridiniumdibenzena-decaoxacyclo-octacosaphane)-rotaxane bis(hexafluorophosphate) acetone solvate (GITXOX)
   464  (JSmol)              -742.2     -745.1       14.1   17.5   (2)-(bis(1,5-naphtho)-38-crown-10)-(N,N'-bis-(3-carboxypropyl)-4,4'-bipyridinium)-pseudorotaxane bis(hexafluorophosphate) (LEZZAS)
   468  (JSmol)              -668.4     -639.7       27.8   49.2   Stercorite (Na(NH4)HPO4 4(H2O))
   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)
   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)
   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)
   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
   529  (JSmol)  -282.2      -303.8     -313.6       26.6   29.1   Ammonium sulfate (2(NH4)SO4)
   530  (JSmol)  -282.2      -317.6     -314.6       27.0   21.4   Mascagnite ((NH4)2SO4)
   531  (JSmol)              -130.2     -126.8       17.4   16.0   Piroxicam (BIYSEH06)
   532  (JSmol)              -135.2     -125.2       16.4   23.8   5H-dibenz(b,f)azepine-5-carboxamide saccharin solvate (UNEZAO)
   533  (JSmol)              -125.1     -124.3        5.7    4.8   Carbamazepine Saccharin
   534  (JSmol)              -138.4     -121.1       19.0   20.0   Sildenafil
   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
   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)
   568  (JSmol)             -1491.3    -1354.6       20.4   29.4   Ammonium aluminum sulfate ((NH4)Al(SO4)2 (12(H2O))
   571  (JSmol)                51.3       50.2       15.9   13.6   XIV N-(Dimethylthiocarbamoyl)benzothiazole-2-thione
   575  (JSmol)              -710.4     -696.3       14.1   14.9   tetrakis(Piroxicam) fumaric acid clathrate (DIKDIL)
   576  (JSmol)             -2383.6    -2235.0        6.6    9.2   Oxytocin 1XY10001
   580  (JSmol)              -592.9     -586.1       16.8   16.2   Sildenafil citrate monohydrate
   584  (JSmol)   -75.1       -91.0      -73.9       27.4   21.5   Ammonium chloride (NH4Cl)
   585  (JSmol)               -14.0       -5.0       21.4   14.0   p-Chloroaniline (CLANIC05)
   586  (JSmol)   -47.1       -71.9      -63.4       26.0   24.3   Hydrazinium chloride (N2H5Cl) (ICSD 65334)
   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)
   598  (JSmol)              -163.8     -166.8       16.9   11.6   beta-Hydroxystyryl-N-(2-pyridinyl)acetamide hydrochloride monohydrate -NH-COH- (DIDVER)
   599  (JSmol)              -151.0     -170.9       24.0   10.3   beta-Hydroxystyryl-N-(2-pyridinyl)acetamide hydrochloride monohydrate -NH2-CO- (DIDVER)
   601  (JSmol)   -54.9      -123.9     -104.7       31.2   46.2   Ammonium perchlorate (NH4ClO4) (ICSD 40382)
   602  (JSmol)              -172.3     -163.1       20.0   10.4   Indomethacin
   603  (JSmol)              -365.1     -350.0       17.1   13.7   L-Lysine monohydrochloride dihydrate (LYSCLH)
   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
   619  (JSmol)              -106.4     -116.0       30.2   28.9   (Tetra-azacyclotetradecane)-dichloro-diethyl-di-aluminium (JAXTUX)
   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)
   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
   643  (JSmol)              -455.2     -430.3       22.7   18.3   Aqua-chloro-(15-crown-5)-magnesium chloride acetonitrile solvate (YAFYEJ)
   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)
   665  (JSmol)   -30.8       -12.0      -29.2       42.1   47.5   Potassium amide (KNH2) (ICSD 24519)
   666  (JSmol)   -24.9        -7.3      -76.3       21.7   17.1   Potassium cyanide (KCN) (ICSD 27350)
   672  (JSmol)   -88.4       -78.2     -129.5       22.0   41.6   Potassium nitrite (KNO2) (ICSD 1906878)
   673  (JSmol)   -88.4       -76.8     -129.6       71.7   71.8   Potassium nitrite (KNO2) (ICSD 36202)
   674  (JSmol)               -78.2     -130.8       22.1   45.8   Potassium nitrite (KNO2) (ICSD 86117)
   677  (JSmol)  -118.2       -99.1     -144.4       27.0   41.4   Niter (KNO3)
   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)
   728  (JSmol)  -224.2      -234.3     -255.8       30.4   34.3   Calcium dinitrate (Ca(NO3)2) (ICSD 1500652)
   731  (JSmol)              -548.7     -508.0       15.6   14.6   bis((mu-2-Aqua)-hexa-aqua-calcium 5,5'-azotetrazolate) dihydrate (MINBOA)
   733  (JSmol)              -535.0     -540.6       31.9   23.9   Nitrocalcite (Ca(NO3)2 4(H2O))
   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)
   767  (JSmol)             -2430.5    -2306.9       21.5   22.5   Cucurbituril calcium bisulfate sulfuric acid tridecahydrate (BEBDOB)
   785  (JSmol)              -616.5     -580.4        8.6    7.9   tris(Guanidinium) hexafluoro-scandium(iii) (HEYRUZ)
   789  (JSmol)              -246.2     -231.3       24.0   14.9   fac-(1,3,5-Trimethyl-1,3,5-triazacyclohexane)-trichloro-scandium (JASWUW)
   799  (JSmol)              -596.5     -606.0       15.0   22.7   Aqua titanium(III) EDTA hydrate ((YUCMAK)
   800  (JSmol)              -192.7     -192.6       21.4   44.0   Titanium(iv) nitrate (Ti(NO3)4)
   803  (JSmol)              -590.5     -540.9       20.3   44.5   bis(Guanidinium) hexafluoro-titanium (KOYXOL)
   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)
   816  (JSmol)              -350.1     -299.0       27.1   44.5   bis(Dimethylammonium) hexachloro-titanate (BARMAJ)
   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)
   844  (JSmol)              -440.0     -439.0       25.4   30.5   catena-(1,2-Ethylenediammonium bis(mu-2-oxo)-tetraoxo-di-vanadium) (FUDLOF02)
   845  (JSmol)              -327.4     -306.3       27.2   33.8   Ammonium chromate ((NH4)2CrO4) (ICSD 1501451)
   852  (JSmol)              -888.2     -927.5       19.2   19.9   Ammonium tris(oxalato-O,O')-chromium(iii) dihydrate (AMOXCR)
   853  (JSmol)              -210.3     -233.0       28.6   39.0   Pyridinium fluorochromate (NONYUK)
   856  (JSmol)              -229.7     -300.5       25.1   35.9   Guanidinium trans-tetrafluoro-bis(pyridine-N)-chromium(iii) (PUXPUT)
   857  (JSmol)               185.9      183.0       16.5   12.7   hexakis(6-Isocyanoazulene-C)-chromium tetrafluoroborate (GUZCOT)
   858  (JSmol)              -430.5     -440.9       32.0   38.6   o-Phenylene-di-ammonium aqua-pentafluoro-chromium(iii) (YASHOP)
   864  (JSmol)             -1263.7    -1242.0       39.2   41.8   Ammonium chromium(III) alum ((NH4)Cr(SO4)2 12(H2O))
   865  (JSmol)              -177.9     -173.3       31.4   46.9   4,4'-Bipyridinedi-ium bis(chloro-trioxo-chromium(vi)) (HIHFOT)
   866  (JSmol)              -255.8     -256.1       12.3   13.5   trans-Difluoro-bis(ethylenediamine)-chromium(iii) chloride (BAVGUA10)
   867  (JSmol)              -404.9     -372.1       15.5   43.5   Ethylenediammonium ethylenediamine-tetrafluoro-chromium(iii) chloride (DIYFEW)
   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)
   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)
   892  (JSmol)  -137.7      -139.5      -34.8       46.1    7.6   Manganese(ii) dinitrate (Mn(NO3)2) (ICSD 412003)
   899  (JSmol)              -546.8     -285.2       27.0   53.4   Tetramethylammonium diaqua-tetrafluoro-manganese(iii) (TMAFMN)
   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)
   916  (JSmol)               -34.8      113.1       14.1   25.7   Hydrogen hexacyanoferrate (H4Fe(CN)6)
   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)
   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)
   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)
   954  (JSmol)  -100.5       -80.5    -6200.5       26.1   95.5   Cobalt(ii) dinitrate (Co(NO3)2) (ICSD 412004)
   956  (JSmol)               -94.6       20.7       17.4   60.5   Hexamminecobalt(iii) hexacyanocobaltate(iii) (Co(NH3)6 Co(CN)6) (ICSD 2560)
   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)
   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)
   974  (JSmol)              -418.0     -312.3       21.1   82.3   Diaqua-dichloro-bis(urea)-cobalt (AQURCO10)
   975  (JSmol)              -339.1     -206.8       13.2   73.3   (+-)cis-Dichloro-bis(ethylenediamine)-cobalt(iii) chloride monohydrate (CLECOC01)
   976  (JSmol)              -515.4     -392.0       20.9   15.3   D,L-tris(Ethylenediamine)-cobalt(iii) trichloride trihydrate (COTENC01)
   977  (JSmol)              -234.1     -130.5       10.4   90.7   mer-Trichloro-(N-(3-aminopropyl)-1,3-propanediamine)-cobalt(iii) (AMPRCO)
   978  (JSmol)              -446.7     -312.7       27.2   75.8   trans-Dichloro-bis(ethylenediamine)-cobalt(iii) chloride hydrochloride dihydrate (ETDCOH02)
   981  (JSmol)              -427.8     -223.4       10.5   59.0   tris(Ethylenediamine) chromium(iii) hexacyano-cobaltate(iii) hexahydrate (ETDHCO)
   986  (JSmol)              -117.6     -109.1       39.6   20.5   ((2S,3S)-1,4-Dimethoxy-2,3-bis((salicylidene)amino)butane)-nickel(ii) (QAPDOB)
   988  (JSmol)              -136.1     -487.9       18.4   20.0   Hexa-ammine-nickel(ii) bis(trinitromethanide) (XIRNUI)
   995  (JSmol)               -27.5      -72.8       58.7   69.4   bis(Hydrogen dimethylglyoximato)-nickel (NIMGLO12)
   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)
  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)
  1011  (JSmol)               -19.1       18.0        9.2   18.7   tris(1,3-Propanediamine) chromium(iii) pentacyanonickelate(ii) dihydrate (CRTNCN01)
  1014  (JSmol)              -324.6     -306.9       26.2   31.5   Cis Cu Diglycine (CUGLYM02)
  1016  (JSmol)               -59.3     -132.1       22.8   45.6   Copper ammine nitrate (Cu(NH3)(NO3)2) (ICSD 78922)
  1020  (JSmol)              -528.1     -533.8       16.3   25.7   Copper(ii) hexaquo dinitrate (Cu(NO3)2(H2O)6) (ICSD 1420846)
  1022  (JSmol)   -72.4       -75.7      -88.3       68.8   21.8   Copper(ii) nitrate (Cu(NO3)3) (ICSD 28447)
  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)
  1030  (JSmol)              -673.7     -617.2       20.1   16.2   tris(Ethane-1,2-diamine-N,N')-copper(ii) bis(trifluoroacetate) (VIWMOE)
  1036  (JSmol)              -388.7     -315.0       20.0   25.6   Tetraamminecopper(ii) sulfate hydrate ([Cu(NH3)4] SO4 H2O) (ICSD 23189)
  1037  (JSmol)              -444.7     -346.8       17.3   24.6   Tetramminecopper sulfate hydrate (Cu(NH3)4 (SO4) (H2O))
  1038  (JSmol)              -934.2     -861.3       18.7   17.9   Diammonium copper sulfate hexahydrate (Cu(NH4)2 (SO4)2 (H2O)6)
  1039  (JSmol)              -897.7     -846.8       18.4   26.4   Diammonium hexaquacopper(ii) sulfate ((NH4)2[Cu(H2O)6](SO4)2) (ICSD 62991)
  1040  (JSmol)                14.6       49.4       18.9   62.4   bis(2-Thio-6-picoline N-oxide)-copper(ii) (CAQCAY)
  1041  (JSmol)                -5.0       68.1       14.6   59.5   bis(mu-2-N,N-Diethyldithiocarbamato)-di-copper(i) (CUETSC)
  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)
  1053  (JSmol)               -20.1      -37.3       28.2   21.3   bis((mu-2-Chloro)-acetonitrile-chloro-copper(ii)) (DCUCAN)
  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)
  1061  (JSmol)              -211.5     -241.3       17.8   18.0   Copper trihydroxide nitrate (Cu2(OH)3(NO3)) (ICSD 201478)
  1065  (JSmol)               -90.4     -155.6       37.2   18.6   bis(Trimethylammonium) decachlorotetracopper(ii) (MEAMCU10)
  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)
  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)
  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)
  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)
  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)
  1113  (JSmol)              -191.5     -132.8       26.1   15.4   Tetramethylammonium trichloro-germanium(ii) (TMACGE20)
  1117  (JSmol)              -704.4     -680.1       14.2    9.7   catena(bis(Methylammoninum) decaoxadigalliumtrigermanate) (FIGQIV)
  1129  (JSmol)               -68.3      -55.1       31.9   27.2   tris(Ethylenediammonium) bis(cyclo-hexathioarsenate(iii)) ethylenediamine solvate (DAKKIJ)
  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)
  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)
  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)
  1164  (JSmol)              -271.1     -230.7       48.3   20.7   bis(1,2,4-Triseleno-3,5-diazolium) bis(hexafluoroarsenate) (KAZBIW)
  1166  (JSmol)               -67.2       13.1       46.9   16.3   bis(Tetramethylammonium) pentaselenide (ZAZCIM)
  1168  (JSmol)               -89.9      -93.2       10.8   19.8   bis(Tetra-n-propylammonium) spiroundecaselenide (SOMWIA)
  1169  (JSmol)   -64.7       -67.7     -100.6       23.0   46.4   Ammonium bromide (NH4Br) (ICSD 43300)
  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)
  1182  (JSmol)               -85.5      -81.5       25.8   20.1   V (BOQWIN)
  1187  (JSmol)               -83.6      -81.4       34.1   36.5   Copper(i) diammine bromide (Cu(NH3)2Br) (ICSD 170947)
  1188  (JSmol)              -225.1        -.-       20.1    -.-   Trans Cu DiGly (IWUBEH)
  1189  (JSmol)               -50.9      -23.6       11.4    6.7   tetrakis((mu-3-Bromo)-triethylamino-copper) (DEWKEV)
  1193  (JSmol)                24.9      -39.1       14.7   10.6   Dibromo-tetrakis(pyridine)-magnesium pyridine solvate (MGPPYD)
  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)
  1208  (JSmol)               -57.1      -94.2       12.0   15.3   Bromo-tris(2-dimethylaminoethyl)amine-manganese(ii) (DAEAMN)
  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)
  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)
  1239  (JSmol)              -138.8      -77.2        5.6   12.2   bis(Tetramethylammonium) tetrabromo-manganese (VANPEF01)
  1240  (JSmol)               -85.0     -166.4       54.5   53.5   4-Ethylpyridinium tetrabromoferrate(iii) (EPYMBF)
  1241  (JSmol)               -58.1     -133.1       39.4   79.5   2,2'-Bipyridinedi-ium tetrabromo-cobalt(ii) (BPYRBC11)
  1242  (JSmol)              -131.7     -111.4       31.6   31.6   bis(N,N,N',N'-Tetramethylguanidinium) tetrabromo-nickel (CEPXIF)
  1243  (JSmol)               -57.3      -57.5       31.6   43.7   bis(Pyridinium) tetrabromo-copper(ii) (BACHIX)
  1244  (JSmol)               -52.1     -110.6       27.3   23.1   2,2'-Bipyridinedi-ium tetrabromo-zinc(ii) (AGEXAM)
  1245  (JSmol)              -168.8     -267.5       18.5   36.7   bis(Guanidinium) tetrabromo-zinc(ii) (BEYNUO)
  1246  (JSmol)              -152.7     -159.7        8.5   11.6   bis(Tetramethylammonium) tetrabromo-zinc(ii) (CEKLOT01)
  1247  (JSmol)              -120.3     -105.1       13.4   23.9   Tetrabromo-(1,2-bis(dimethylamino)ethane)-germanium(iv) (DITCUF)
  1249  (JSmol)              -134.2     -211.4       28.2   33.7   trans-Dibromo-tetrakis(acetonitrile-N)-vanadium(iii) tribromide (DUSGED)
  1250  (JSmol)              -189.5     -152.1        9.7   10.6   tris(Tetramethylammonium) (mu-2-bromo)-bis(dibromo-copper(i)) (CUPHEA)
  1251  (JSmol)              -150.7     -256.0       27.8   34.8   bis(Morpholinium) bis(mu-2-bromo)-octabromo-di-selenate(iv) (RAFYUS)
  1253  (JSmol)              -128.1     -327.7       30.1   52.2   Aminoguanidinium hexa-bromo-copper(ii) (TIVJEN)
  1254  (JSmol)               -96.2     -222.7       11.0   15.9   Bis(1,4-Diazoniabicyclo(2.2.2)octane) bis(1-aza-4-azoniabicyclo(2.2.2)octane) tetrakis(tribromide) dibromide (DAHGUO)
  1255  (JSmol)               -52.4     -129.3       17.9   27.9   bis(N-Methyl-2-bromothiazolidinium) hexabromoselenate (POYLAQ)
  1256  (JSmol)              -249.4     -289.4        8.3   17.3   bis(Tetra-n-propylammonium) tetrakis(mu-2-bromo)-hexabromo-triselenate(ii,iv,ii) (JAMBAA)
  1264  (JSmol)   -27.0       -40.7      -65.8       34.8   48.0   Rubidium amide (RbNH2) (ICSD 50484)
  1271  (JSmol)  -118.3      -113.0     -105.0       41.0   63.1   Rubidium nitrate (hexagonal) (RbNO3) (ICSD 1614238)
  1290  (JSmol)              -484.8     -487.0       22.0   16.1   (18-Crown-6)-bis(nitrato-O,O')-strontium (JAWWAF)
  1300  (JSmol)  -233.8      -232.7     -224.7       27.8    9.0   Strontium nitrate (Sr(NO3)2) (ICSD 35494)
  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)
  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)
  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)
  1322  (JSmol)             -1664.1    -1839.4       14.6   83.2   Tri-sodium tris(dipicolinato-N,O,O')-yttrium nonahydrate (YAWPUI)
  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)
  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)
  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)
  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)
  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)
  1361  (JSmol)              -894.1     -850.8       18.8   16.2   Ammonium diaqua-oxo-bis(oxalato-O,O')-niobium(v) trihydrate (AMOXNB)
  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)
  1372  (JSmol)              -220.4     -168.9       26.9   21.6   tris(Dimethylamino)cyclopropenylium hexachloro-niobium(v) (KOWGOS)
  1374  (JSmol)               -38.8     -119.6       18.2   26.8   tetrakis(N,N-Diethyldithiocarbamato-S,S')-niobium(v) bromide (DEDRAF)
  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)
  1394  (JSmol)              -154.2     -142.5       15.1   12.3   Tetra-n-butylammonium h5-cyclopentadienyl-tricarbonyl-molybdenum (BATCOM)
  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)
  1412  (JSmol)              -357.8        -.-       68.1    -.-   bis(Morpholinium) diaqua-hexabromo-di-molybdenum(ii) (BELWEU)
  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)
  1425  (JSmol)              -736.0     -785.1       15.6   11.2   tris(2,2-Bipyridyl)-technetium(ii) bis(hexafluorophosphate) (SUDZOG)
  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)
  1430  (JSmol)              -910.2    -1026.8       41.2   30.1   (Dibenzo-18-crown-S6)-ruthenium bis(hexafluorophosphate) nitromethane solvate (SIJVAI)
  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)
  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)
  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)
  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)
  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)
  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)
  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)
  1488  (JSmol)               127.8       85.3       23.6   36.2   Bis(cyanido)(ethane-1,2-diamine-N,N')silver(ii) (SILKEE)
  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)
  1496  (JSmol)                32.8       62.4       85.2   85.7   Silver cyanide (AgCN)
  1497  (JSmol)   -29.7        -6.9     -818.9       26.3   97.9   Silver nitrate (AgNO3)
  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)
  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)
  1511  (JSmol)               -20.3     -256.3       66.4   96.2   bis(mu-2-Aminomethylnitrosolate)-di-silver(i) (KUXWAB)
  1513  (JSmol)              -121.0     -504.2       55.1   88.0   bis(mu-2-Triethyl betaine)-bis((nitrato)-silver(i)) (KUDKOJ)
  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)
  1525  (JSmol)              -151.0    -1143.2       41.7   87.8   (5-Carboxy-1H-imidazole-4-carboxylato)-diammine-silver(i) (DUKMOM)
  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)
  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)
  1541  (JSmol)              -130.2      -66.7       28.7   54.6   Cadmium dinitrate (Cd(NO3)2) (ICSD 297)
  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)
  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)
  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)
  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)
  1581  (JSmol)              -302.8     -299.5       24.8   18.2   Diammonium tetrafluoro-dimethyl-tin(iv) (LEVHUP)
  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)
  1598  (JSmol)              -191.0     -216.4       14.2   23.8   bis(Dimethylammonium) hexabromo-tin(iv) (BUJPUR)
  1600  (JSmol)               -98.7      -68.8       21.1    8.1   Terpyridyl(dimethyl)chlorotin(iv) dimethyl(trichloro)stannate(iv) (SNTPYR10)
  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)
  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)
  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)
  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)
  1631  (JSmol)              -471.5     -440.2       44.7   52.7   (mu-2-Oxo)-bis(difluoro-urea-antimony) (UROFSB10)
  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)
  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)
  1663  (JSmol)              -634.5     -638.7       30.5   51.0   Tetrapyridinium bis((mu-2-oxo)-trifluorotellurate(iv)) bis(pentafluorotellurate(iv)) (WAVZID)
  1665  (JSmol)                 9.2      -39.6       32.3   33.9   catena-(N-Hexamethylethylenediamine tetrakis(mu-2-tellurium)) (VEHMEA)
  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)
  1670  (JSmol)              -140.1     -209.4       26.0   37.3   bis(Tetra-n-butylammonium) pentatelluride (CAHJOK)
  1673  (JSmol)               -55.7      -73.2       26.1   22.2   2-Iodo-1,3-di-t-butyl-1,3,2-diazaphospholene (CORGAS)
  1674  (JSmol)               -90.5     -129.8       20.6   22.1   4-Iodo-tetramethyl-tetra-aza-phosphaspiroheptane-2,6-dione (SAKMUM)
  1675  (JSmol)   -48.3       -48.5      -44.6       13.3   34.3   Ammonium iodide (NH4I)
  1677  (JSmol)              -622.8     -614.1        6.0    5.7   Cucurbit(6)uril p-phenylenediammonium clathrate bis(iodide) decahydrate (JEVZAM)
  1678  (JSmol)               -81.7       -6.6       26.2   28.1   Cyano-bis(ethylene-1,2-diamine)-copper(ii) iodide (LEMVIJ)
  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)
  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)
  1711  (JSmol)              -140.1     -105.2       23.4   92.8   Ammonium trans-di-iodo-bis(glyoximato-N,N')-cobalt(iii) (KIDRIY)
  1716  (JSmol)              -366.5      -72.0        9.2   83.2   Di-iodo-nitrosyl-bis(trimethylphosphine)-cobalt (FALTAN)
  1719  (JSmol)              -113.5     -162.8       16.4   12.6   Iodo-bis(ethylenediamine)-aqua-nickel(ii) iodide (IENANI)
  1734  (JSmol)              -334.0     -277.2       27.9   28.0   trans-Di-iodo-tris(methanol)-(tetramethylethylenediamine)-strontium(ii) tetramethylethylenediamine solvate (TAQPUW)
  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)
  1744  (JSmol)               -39.1      -76.9       35.6   41.1   Ammonium triiodide (NH4I3) (ICSD 2110220)
  1748  (JSmol)                31.7      -64.0       43.9   38.6   Nitrogen iodide ammonia (N2H3I3) (ICSD 27416)
  1752  (JSmol)              -339.8     -698.3       24.3   42.0   a,e-Diaminocapronic acid iodic acid (HIRMOK)
  1753  (JSmol)                30.5        5.6       12.6   20.7   bis(Dipyridiniomethane) bis(mu-2-iodo)-tetra-iodo-di-copper(i) (DEHKEG)
  1755  (JSmol)              -533.8     -494.3       24.8   17.5   hexakis(Urea)-vanadium tris(iodide) (HURVTI01)
  1772  (JSmol)              -118.7     -151.1       37.7   27.4   Copper(ii) tetrammine duo-diiodide (Cu(NH3)4I2) (ICSD 4072)
  1777  (JSmol)                10.5       14.6       14.4   18.1   bis(4-Cyano-1-methylpyridinium) tetraiodo-zincate (FEYLOL)
  1781  (JSmol)              -105.0      -35.7       14.7   46.0   Tetra-n-propylammonium dicarbonyl-tetraiodo-rhodium(iii) (PRAIRH)
  1783  (JSmol)              -196.4     -153.1        9.0   19.2   Tetra-n-butylammonium tetraiodo-indate(iii) (AHOMIT)
  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)
  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)
  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)
  1815  (JSmol)              -104.2     -184.5       26.9   29.8   Cesium nitrate (CsNO3) (ICSD 60579)
  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)
  1826  (JSmol)              -228.0     -447.8       22.9   65.2   18-Crown-6-cesium dicyano-silver(i) (GOKZOV)
  1828  (JSmol)              -482.5     -561.1       35.6   62.0   Cesium EDTA-antimonate(iii) monohydrate (BAWGIP)
  1839  (JSmol)              -180.9     -257.4       26.1   49.7   Dicesium potassium hexacyano-iron(iii) (JIHPAR)
  1857  (JSmol)  -236.1      -211.9     -404.4        1.4   36.6   Barium nitrate (Ba(NO3)2) (ICSD 35495)
  1858  (JSmol)  -183.6      -176.4     -430.4        9.7   55.2   Barium nitrite (Ba(NO2)2) (ICSD 29510)
  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)
  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)
  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)
  1891  (JSmol)             -1555.8    -2900.9       11.3   51.6   Barium ethylenediamine-tetra-acetate hydrate (BAEDTA)
  1894  (JSmol)             -1199.2     -486.6       21.8   25.2   Ammonium lanthanum sulfate (ICSD 20895)
  1895  (JSmol)             -1369.1    -1536.7       24.8   36.3   Catena benzoic acid phosphate water lanthanum(iii) complex (DEJVAQ)
  1896  (JSmol)              -561.9     -682.1       15.6   15.9   La Complex Sparkle (HETALA11)
  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)
  1905  (JSmol)  -299.8      -302.5     -552.4       71.1   55.1   Lanthanum(iii) nitrate (La(NO2)3) (ICSD 281587)
  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)
  1917  (JSmol)              -100.4     -474.4       12.0   11.5   Trilithium dilanthanum nitrate trihydrate (ICSD 39514)
  1920  (JSmol)              -164.0     -385.4       15.6   18.6   Ce Complex Sparkle (PEKWEH)
  1922  (JSmol)                88.5     -318.6       16.8   18.0   Ce Complex Sparkle (TIJCIY)
  1923  (JSmol)               396.0       38.9       15.1   18.3   Ce Complex Sparkle (XONYAA)
  1924  (JSmol)              -180.9     -567.9       23.9   18.9   Pr Complex Sparkle (ICSD 240384)
  1925  (JSmol)              -137.1     -617.1       19.9   16.1   Pr Complex Sparkle (ICSD 411291)
  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)
  1933  (JSmol)              -256.2     -617.9       29.2   39.8   Nd Complex Sparkle (ICSD 37181)
  1934  (JSmol)                 9.3     -517.9       21.3   17.6   Nd Complex Sparkle (ICSD 411290)
  1938  (JSmol)               479.7       56.9       15.6   19.3   Nd Complex Sparkle (XONYII)
  1940  (JSmol)              -681.7     -970.7       12.1   12.4   Sm Complex Sparkle (CORKEZ)
  1941  (JSmol)               -36.6     -475.2       17.3   22.0   Sm Complex Sparkle (ICSD 409528)
  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)
  1948  (JSmol)               459.1      149.5       14.9   12.5   Eu Complex Sparkle (EGOBEH)
  1950  (JSmol)              -284.6     -421.6       17.7   37.3   Eu Complex Sparkle (ICSD 280528)
  1951  (JSmol)                13.7     -120.7       28.3   22.1   Eu Complex Sparkle (PIEUAC01)
  1952  (JSmol)              -530.3     -561.8       18.5   16.6   Eu Complex Sparkle (QAKWUU)
  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)
  1963  (JSmol)              -506.9     -647.0       23.2   29.1   Tb Complex Sparkle (ICSD 1408781)
  1964  (JSmol)               206.0      -16.5       10.0   25.5   Tb Complex Sparkle (ICSD 1522521)
  1967  (JSmol)               145.6      -40.5       21.0   17.9   Tb Complex Sparkle (XEXJIT)
  1969  (JSmol)                50.1      -47.1       16.1   16.4   Tb Complex Sparkle (VAPTEL01)
  1971  (JSmol)              -154.3     -408.7       28.0   33.4   Dy Complex Sparkle (CECLIF10)
  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)
  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)
  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)
  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)
  1998  (JSmol)               -47.1     -314.3       21.6   18.8   Tm Complex Sparkle (TUPYUY)
  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)
  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)
  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)
  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)
  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)
  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)
  2033  (JSmol)               381.9      378.7       21.4   10.9   bis(Phthalocyaninato)-lutetium(iii) dichloromethane solvate (DICBUM)
  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)
  2046  (JSmol)              -655.5     -675.7       22.7   31.6   Hexamethylenediammonium hexafluoro-hafnium (RENPAB)
  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)
  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)
  2060  (JSmol)              -848.3     -856.2       34.5   27.0   Betainium hexafluoro-tantalum(iv) dihydrate (CEYCEO)
  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)
  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)
  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)
  2114  (JSmol)              -566.5     -438.9       19.5   24.9   bis(Acetonitrile)-fluoro-tetramethyl-tungsten hexafluoro-tungsten (RETNAF)
  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)
  2131  (JSmol)              -115.5      -35.8       19.8   21.4   trans-bis(Pyridinium)methane di-iodo-tetrachloro-rhenium(iv) dimethylsulfoxide solvate (NOYRUO)
  2139  (JSmol)               -15.1     -217.5       20.1   26.9   Dipyridinomethane cis-dibromo-tetrafluoro-osmium(iv) (NILVOT)
  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)
  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)
  2158  (JSmol)               -86.2     -102.1       14.4   25.3   trans-Dicarbonyl-dibromo-(2,2'-bipyridine)-osmium (NIKPED)
  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)
  2167  (JSmol)              -131.2     -110.4        8.2   14.5   bis(Tetramethylammonium) tetraiodo-fluoro-nitrosyl-osmium (TEDYEG)
  2170  (JSmol)              -120.2      -11.0       20.4   72.3   (Ethylenediamine)-pyridine-trichloro-iridium(iii) (IBEFUR01)
  2172  (JSmol)              -166.6      -43.6       11.5   56.5   Ethylene-1,2-diammonium hexachloro-iridate(iv) (NAYQOU)
  2182  (JSmol)              -447.3     -615.0       25.0   41.5   Sodium hexanitroiridate (Na3Ir(NO3)6 (ICSD 39572)
  2184  (JSmol)             26703.2     -597.0       97.6   13.7   bis((Hexa-ammine)-iridium(iii)) trioxalate tetrahydrate (XEDNID)
  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)
  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)
  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)
  2221  (JSmol)              -148.8     -212.7       32.9   28.2   (18-Crown-6)-rubidium tetracyano-gold(iii) (DONYUA)
  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)
  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)
  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)
  2250  (JSmol)              -130.9     -156.8       23.3   38.5   p-Phenylenediammonium tetrabromo-gold(iii) bromide monohydrate (GEVHAR)
  2255  (JSmol)                61.7      -22.1       48.8   51.9   Pyridinium tetrakis(iodo)-gold(iii) (UCILUO)
  2258  (JSmol)              -194.3     -204.9       30.6   35.3   Tetra-ammine-palladium(ii) tetrachloro-gold(iii) (KIYVUK)
  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)
  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)
  2281  (JSmol)                22.5       -7.6       12.1   37.3   (2,2'-Bipyridine)-di-iodo-mercury(ii) (CUDWIH)
  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)
  2304  (JSmol)   -58.3       -45.3     -103.8       27.8   59.1   Thallium(i) nitrate (TlNO3)
  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)
  2332  (JSmol)  -108.0       -95.7     -101.4       18.5   28.9   Lead nitrate (Pb(NO3)2) (ICSD 62698)
  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)
  2350  (JSmol)               -76.9      -80.9        9.9   26.1   Tetramethylammonium catena(tri-iodo-lead(ii)) (CERBUW)
  2356  (JSmol)              -874.0     -694.8       16.0   17.5   bis(tris(Ethylenediamine)-cobalt(iii)) catena(bis(mu-2-chloro)-heptachloro-di-lead(ii)) chloride trihydrate (ENCOPB)
  2357  (JSmol)              -691.6     -727.4        5.6   11.4   catena-[heptakis(Ethylene-1,2-diammonium) bis(oxalate) hexakis(mu-2-iodo)-dodecaiodo-tetra-lead tetrahydrate] (CEWCEN)
  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)
  2379  (JSmol)              -397.8     -372.0       19.0   11.2   Nitrato-pentakis(thiourea)-bismuth(iii) dinitrate monohydrate (CELJIM)
  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)
  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)
  2390  (JSmol)              -274.6     -232.2       34.6   27.9   catena-(Pentamethylenediammonium (mu-2-chloro)-tetrachloro-bismuth(iii)) (ACIKED)
  2391  (JSmol)              -586.0     -931.0       19.5   64.0   catena-(bis(18-Crown-6-potassium) bis(mu-4-thiocyanato-S,S,S,S,N)-bis(mu-2-thiocyanato-S,N)-bis(mu-2-isothiocyanato-N,S)-bismuth-potassium) (WETRIW)
  2392  (JSmol)              -408.1     -400.8       17.9   28.6   catena-(bis(Ammonium 18-crown-6 (mu2-chloro)-dichloro-(mu-2-thiocyanato-S,N)-bismuth)) (VEJREH)
  2393  (JSmol)              -908.9     -909.5       23.7   28.8   catena-(tris(1,2-ethanediaminium) bis(mu-2-sulfato)-bis(mu-2-sulfato)-bis(sulfato-diaqua-di-bismuth tetrahydrate (LOHDES)
  2394  (JSmol)                42.3       37.2       16.5   17.9   mer-Tri-iodo-tripyridyl-bismuth(iii) pyridine solvate (BIMCUV)
  2395  (JSmol)              -139.8     -118.0       21.6   17.4   tetrakis(2,2'-Bipyridinium) tetrakis((mu-2-chloro)-tetrachloro-bismuthate(iii)) (PURLOD01)
  2396  (JSmol)              -262.6     -263.4       15.2   17.5   tris(Diethylammonium) hexabromo-bismuth(iii) (DEJLUZ)
  2400  (JSmol)              -807.8     -669.1       21.6    6.5   catena(tris(Guanidinium) trichloro-tris(oxalato-O,O')-di-bismuth(iii)) (CAHMAZ)
  2401  (JSmol)              -264.5     -573.1       25.8   58.7   tris(Guanidinium) tris(mu-2-bromo)-hexabromo-di-bismuth(iii) (ICUMUP)
  2402  (JSmol)              -184.9     -215.9       38.6   38.1   tris(Guanidinium) tris(mu-2-iodo)-hexaiodo-di-bismuth(iii) (LOFROO)
  2403  (JSmol)              -882.2    -1529.4       30.0   81.0   (mu-2-Dibismuthide)-diammine-bis(18-crown-6)-di-cesium ammonia solvate (SAJROL)
  2405  (JSmol)              -642.2     -659.3       31.7   20.4   Potassium octapyridinium tris(hexachlorobismuthate(iii)) (BIPGAJ)