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 414 Chlorine-containing Solids predicted using PM7 and PM6-D3H4 with X-Ray

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

Average unsigned error in PM7 HoF: 16.12 kcal/mol, for 74 solids
Average unsigned error in PM6-D3H4 HoF: 61.78 kcal/mol, for 72 solids

     #     GUI   Heat of formation (Kcal/formula unit) Geometry        Species
                    Ref.        PM7     PM6-D3H4      PM7 PM6-D3H4 
   581  (JSmol)               -33.1      -32.0       27.0   19.9   Boron chloride (B8Cl8) (ICSD 43258)
   582  (JSmol)   -97.7      -105.8     -110.1       19.8    5.2   LiCl
   583  (JSmol)               -54.3      -45.2       32.8   25.9   (Cyclopentadienyl)-chloro-beryllium (JEFKIO)
   584  (JSmol)   -75.1       -91.0      -73.9       27.4   21.5   Ammonium chloride (NH4Cl)
   585  (JSmol)               -14.0       -5.0       21.4   14.0   p-Chloroaniline (CLANIC05)
   586  (JSmol)   -47.1       -71.9      -63.4       26.0   24.3   Hydrazinium chloride (N2H5Cl) (ICSD 65334)
   587  (JSmol)              -188.4     -178.3       57.1   54.0   Hydrogen chloride dihydrate (ICSD 15353)
   588  (JSmol)              -132.7     -127.2       33.6   28.2   Monochloroacetic acid (CLACET02)
   589  (JSmol)              -108.4     -101.7       48.4   15.0   p-Chlorobenzoic acid (CLBZAP03)
   590  (JSmol)               -90.3      -89.2       18.3   11.4   N-Chlorosuccinimide (CSUCIM)
   591  (JSmol)              -164.3     -146.1       30.1   27.9   Acetylcholine (ACHOLC01)
   592  (JSmol)              -184.7     -162.1        8.0   10.6   N-Methylacetamide hemihydrochloride -NH-COH- (BOZGAY)
   593  (JSmol)              -159.7     -161.3       15.2   27.6   N-Methylacetamide hemihydrochloride -NH2-CO- (BOZGAY)
   594  (JSmol)              -147.2     -150.5       20.3   20.2   Tryptophan (TRYPTC)
   595  (JSmol)              -250.3     -201.4       11.2    7.4   Caprinolactam hemihydrochloride -NH-COH- (CAPINC)
   596  (JSmol)              -234.5     -196.6        8.1   22.0   Caprinolactam hemihydrochloride -NH2-CO- (CAPINC)
   597  (JSmol)               -87.6      -84.9       24.8   17.3   1 4 dioxocine 6-carboxylic acid chloride (CUWWIA)
   598  (JSmol)              -163.8     -166.8       16.9   11.6   beta-Hydroxystyryl-N-(2-pyridinyl)acetamide hydrochloride monohydrate -NH-COH- (DIDVER)
   599  (JSmol)              -151.0     -170.9       24.0   10.3   beta-Hydroxystyryl-N-(2-pyridinyl)acetamide hydrochloride monohydrate -NH2-CO- (DIDVER)
   600  (JSmol)   -91.0      -137.8     -116.3       36.6   46.7   Lithium perchlorate (LiClO4) (ICSD 413238)
   601  (JSmol)   -54.9      -123.9     -104.7       31.2   46.2   Ammonium perchlorate (NH4ClO4) (ICSD 40382)
   602  (JSmol)              -172.3     -163.1       20.0   10.4   Indomethacin
   603  (JSmol)              -365.1     -350.0       17.1   13.7   L-Lysine monohydrochloride dihydrate (LYSCLH)
   604  (JSmol)              -144.1     -134.5       50.1   60.1   Oxonium perchlorate (H3O(+) ClO4(-)) (ICSD 23866)
   605  (JSmol)              -213.3     -195.6       11.8    5.1   Indomethacin nicotinamide
   606  (JSmol)              -484.3     -437.8       50.9   57.7   Hydrogen chloride hexahydrate (H9O4(+) Cl(-) 2(H2O)) (ICSD 2235)
   607  (JSmol)              -249.7     -229.2       18.4   12.5   Indometacine caffeine
   608  (JSmol)              -290.3     -261.6       37.1   37.3   Perchloric acid trihydrate (HClO4 (H2O)3) (ICSD 27248)
   609  (JSmol)              -367.8     -341.1       18.5   10.7   2,3-Dioxo-N,N'-bis(2-methoxyethyl)terephthalamide hydrochloride diethyl ether solvate -NH-COH- (WEDDOZ)
   610  (JSmol)              -359.5     -372.1       16.3   10.2   2,3-Dioxo-N,N'-bis(2-methoxyethyl)terephthalamide hydrochloride diethyl ether solvate -NH2-CO- (WEDDOZ)
   611  (JSmol)              -381.1     -375.9       17.7   17.7   Indomethacin L-proline
   612  (JSmol)              -400.9     -380.6       25.6   28.9   Methyl (+-)-(1a,2b,8a,9a,10b)-2-chloro-4-aza-3-oxatetracyclo(8.4.0.02,9.04,8)tetradecane-9-carboxylate oxalic acid monohydrate (HUZKOC)
   613  (JSmol)              -336.1     -331.1       21.1   15.6   Fluoxetine hydrochloride benzoic acid
   614  (JSmol)   -98.3      -101.3      -90.7        3.8   37.9   Halite (NaCl)
   615  (JSmol)              -138.3     -175.3       21.3   22.5   Sodium chlorate (NaClO3) (ICSD 1117)
   616  (JSmol)   -91.6      -122.5     -202.7       39.2   34.0   Sodium perchlorate (NaClO4) (ICSD 1409185)
   617  (JSmol)              -327.6     -323.6       14.2   32.7   (15-Crown-5)-(perchlorato-O,O')-sodium (KAPDUA)
   618  (JSmol)             -1695.7    -1563.4       10.4    2.5   Boracite (MgO)5(MgCl2)(B2O3)7
   619  (JSmol)              -106.4     -116.0       30.2   28.9   (Tetra-azacyclotetradecane)-dichloro-diethyl-di-aluminium (JAXTUX)
   620  (JSmol)             -1648.1    -1787.2       18.8    5.1   Sodalite ((Na2O)3(NaCl)2(Al2O3)3(SiO2)6)
   621  (JSmol)              -173.6     -158.9       30.8   30.3   Tetramethylphosphonium chloride monohydrate (MIYHEH)
   622  (JSmol)               -85.9      -82.6       20.0   16.4   XVIII (1-((4-Chlorophenyl)sulfonyl)-2-oxopropylidene)diazenium
   623  (JSmol)              -356.7     -293.7       23.3   24.2   Methylene blue (MAPAZT10)
   624  (JSmol)              -291.6     -285.5       17.5   15.8   Indomethacin saccharin
   625  (JSmol)  -117.1      -113.3     -115.9       33.5   12.5   Beryllium dichloride (BeCl2)
   626  (JSmol)                -8.2       -3.2       40.5   35.8   Chlorine (Cl2) (ICSD 24653)
   627  (JSmol)                 5.7       24.6       30.0   10.7   o-Tetrachlorodicyanobenzene (BAWMUH01)
   628  (JSmol)              -127.4     -111.2       25.0   12.7   bis(Acetonitrile) beryllium chloride (MECYBC)
   629  (JSmol)              -121.8      -83.1       26.1   16.7   Chloro-tris(1,3-dimethylimidazolin-2-ylidene)-beryllium chloride (ZEZYEI)
   630  (JSmol)               -46.4      -33.3       23.2   16.1   Tetrachloro-p-benzoquinone (TCBENQ07)
   631  (JSmol)              -288.1     -251.3       16.7   11.5   Beryllium chloride diethyl ether solvate (ETBECL)
   632  (JSmol)              -446.8     -410.2       52.7   56.5   Beryllium dichloride tetrahydrate (BeCl2 4(H2O)) ICSD 417642)
   633  (JSmol)              -207.0     -191.8       15.6    4.1   Aceclofenac
   634  (JSmol)               -36.9      -18.4       23.7   14.7   XVII 1,2-Dichloro-4,5-dinitrobenzene
   635  (JSmol)              -267.4     -251.6       20.2   14.3   Aceclofenac cytosine
   636  (JSmol)              -426.1     -391.6       19.5   12.0   Indomethacin Lidocaine
   637  (JSmol)              -685.2     -679.3       22.1   16.6   Fluoxetine hydrochloride fumaric acid
   638  (JSmol)              -716.8     -713.0       20.8   15.8   Fluoxetine hydrochloride succinic acid
   639  (JSmol)              -247.9     -237.4       26.0   17.8   Fluoxetine hydrochloride
   640  (JSmol)  -153.3      -171.4     -156.6       30.5   25.8   Chloromagnesite (MgCl2)
   641  (JSmol)  -597.3      -606.9     -582.1       36.5   41.8   Magnesium dichloride hexahydrate (MgCl2 6(H2O)) (ICSD 47161)
   642  (JSmol)              -569.1     -531.9       39.4   40.8   Hexa(ethanolato-O)-magnesium dichloride (JADJED)
   643  (JSmol)              -455.2     -430.3       22.7   18.3   Aqua-chloro-(15-crown-5)-magnesium chloride acetonitrile solvate (YAFYEJ)
   644  (JSmol)               -90.7      -68.6       40.1   71.3   Silicon(ii) chloride (SiCl2)
   645  (JSmol)               -16.7       -5.7       12.9   35.7   Sulfur dichloride (SCl2) (ICSD 38351)
   646  (JSmol)              -112.1      -96.9       26.9   20.7   Boron trichloride (BCl3) (ICSD 27869)
   647  (JSmol)              -156.8     -147.0       25.1   14.3   Chloral hydrate (CHORLH01)
   648  (JSmol)  -168.3      -162.3     -133.7       37.0   40.3   Aluminum trichloride (AlCl3)
   649  (JSmol)               -95.0      -79.1       29.8   26.2   Phosphorus trichloride (PCl3)
   650  (JSmol)               -90.9      -69.8       23.5   17.9   B4Cl4 (ICSD 27872)
   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
   654  (JSmol)  -106.0      -110.2      -96.1       32.5   20.5   Phosphorus pentachloride (PCl5)
   655  (JSmol)              -242.1     -196.2       36.6   15.9   2,4,4,6,6-Pentachloro-2-(piperidyl)cyclotriphosphazene (POTKEO)
   656  (JSmol)   -33.9       -68.1      -24.0       60.3   21.8   Hexachlorobenzene (HCLBNZ13)
   657  (JSmol)              -549.4     -483.9       24.9    7.5   Tetrachlorophthalic acid hemihydrate (TCLPHA)
   658  (JSmol)              -715.8     -662.1       24.9   22.3   [H(CH3OH)3(+)][CHB11Cl11(-)]
   659  (JSmol)              -734.9     -671.5       25.7   24.9   [H7O3(+)][CHB11Cl11(-)]
   660  (JSmol)              -808.8     -739.6       26.1   20.8   [H9O4(+)][CHB11Cl11(-)]
   697  (JSmol)  -104.4      -104.2     -116.8        3.9   16.7   Sylvite (KCl)
   698  (JSmol)   -95.1      -128.9     -157.7       31.6   43.0   Potassium chlorate (KClO3) (ICSD 26409)
   699  (JSmol)  -102.8      -112.8     -135.8       42.0   50.9   Potassium perchlorate (KClO4) (ICSD 1137)
   700  (JSmol)             -3530.5    -4103.5       18.2   37.5   Hanksite (KCl)2(Na2O)22(SO3)18(CO2)4
   701  (JSmol)              -683.8     -629.2       41.1   41.0   Carnallite (KMg(H2O)6Cl3)
   753  (JSmol)              -646.4     -583.5       25.6   17.0   Calcium acetate chloride pentahydrate (CALCLA)
   754  (JSmol)  -190.1      -182.8     -156.4       45.8    5.8   Hydrophilite(CaCl2)
   755  (JSmol)              -586.1     -536.2       30.9   23.7   bis(Dihydroxypropan-2-one)-diaqua-dichloro-bis(1,3-dihydroxypropan-2-one)-di-calcium dichloride (NADQEP)
   756  (JSmol)               -81.2      -17.3       24.8   13.4   bis(tris(2-Pyridylmethyl)amine)-calcium diperchlorate (FESPOI)
   768  (JSmol)             -1231.0    -1236.9       16.5   12.2   Parahilgardite ((CaO)2(B2O3)5(Na2O)(H2O)2)
   780  (JSmol)             -1602.4    -1441.3       15.8   18.1   Chlorapatite (Ca5(PO4)3Cl)
   788  (JSmol)  -221.2      -225.2     -217.3       53.2   33.2   Scandium(iii) trichloride (ScCl3)
   789  (JSmol)              -246.2     -231.3       24.0   14.9   fac-(1,3,5-Trimethyl-1,3,5-triazacyclohexane)-trichloro-scandium (JASWUW)
   790  (JSmol)              -365.4     -366.8       21.1   19.3   Trichloro-(2,5,8-trioxononane)-scandium (CORNIG)
   808  (JSmol)              -486.4     -432.5       11.3   11.2   Tris(Acetylacetonato) titanium(iv) perchlorate (TIACPC)
   809  (JSmol)  -122.7      -110.3     -168.1       18.6   47.8   Titanium(ii) dichloride (TiCl2) (ICSD 23177)
   810  (JSmol)  -172.3      -150.1     -167.4        8.2   51.6   Titanium(iii) trichloride (TiCl3)
   811  (JSmol)              -803.0     -552.9       29.9   39.3   Titanium(iii) perchlorate-hexa-urea complex (TIUERA)
   812  (JSmol)              -179.0     -163.0       29.7   36.5   Pyridinium (h5-cyclopentadienyl)-tetrachloro-titanium (ICESEO)
   813  (JSmol)              -295.2     -229.1       14.2   30.2   bis(Tetraethylammonium) tetrachloro-sulfido-titanium (GERHAM10)
   814  (JSmol)              -328.9     -291.5       25.2   21.4   bis(Pyridinium) isopropoxy-pentachloro-titanium(iv) (ZUMMUP)
   815  (JSmol)              -663.9     -643.7       14.4   15.6   18-Crown-6 oxonium clathrate aqua-pentachloro-titanium (SEPJEC)
   816  (JSmol)              -350.1     -299.0       27.1   44.5   bis(Dimethylammonium) hexachloro-titanate (BARMAJ)
   817  (JSmol)              -421.7     -472.1       12.3   29.5   Na3(TiCl6)
   818  (JSmol)              -584.4     -572.3       20.5   15.5   Dichloro-(15-crown-5)-titanium tetrachloro-aluminium (YARSUF)
   834  (JSmol)  -145.0      -134.3     -374.5       31.2   75.9   Vanadium(iii) oxychloride (VOCl) (ICSD 1981)
   835  (JSmol)              -125.6     -134.6       22.2   23.8   (h5-Cyclopentadienyl)-dichloro-oxo-vanadium(v) NIRKUU)
   836  (JSmol)               -98.9      -53.7       52.8   36.2   Vanadium(ii) dichloride (VCl2)
   837  (JSmol)              -379.1     -460.9       14.9   27.4   hexakis(Methanol)-vanadium(ii) dichloride (DATBUV)
   838  (JSmol)  -138.8      -138.2      -82.4       31.2   52.4   Vanadium(iii) trichloride (VCl3) (ICSD 1902637)
   839  (JSmol)              -361.1     -254.3       23.3   14.5   bis(mu-2-Chloro)-bis(dichloro-bis(trimethylphosphine)-vanadium(iv)) (LEMCIP)
   841  (JSmol)              -385.2     3368.9        8.5    -.-   Potassium hexachlorovanadate(iv) (K2VCl6) (ICSD 1712440)
   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)
   868  (JSmol)   -94.5       -76.9       -5.9       37.8   38.1   Chromium(ii) dichloride (CrCl2) (ICSD 15468)
   869  (JSmol)               -72.8      -11.0       33.2   48.0   bis(mu-2-Chloro)-bis(h5-cyclopentadienyl)-dichloro-di-chromium (CATSEV01)
   870  (JSmol)  -133.0      -131.6      -66.3       20.6   19.7   Chromium(iii) trichloride (CrCl3)
   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)
   904  (JSmol)  -115.0      -115.1      -25.7       55.3   97.2   Manganese(ii) dichloride (MnCl2)
   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)
   931  (JSmol)               -38.2      -64.3       33.9   32.4   Ferricinium tetrachloro-iron(iii) (FERRIC)
   932  (JSmol)   -81.7       -63.0     -513.9       32.0   72.5   Iron(ii) dichloride (FeCl2) (ICSD 44397)
   933  (JSmol)             53423.3     -338.2       79.3   49.3   Iron(ii) dichloride tetrahydrate (FeCl2 4(H2O))
   934  (JSmol)               -99.5      -47.8       26.1   27.9   catena(Dichloro-bis(mu-2-pyrazine)-iron(ii)) (ZIFRUB)
   935  (JSmol)   -95.5       -95.2     -130.1       33.8   57.0   Iron(iii) trichloride (FeCl3)
   936  (JSmol)              -157.7      -98.7       39.3   37.9   Tetramethylammonium tetrachloro-iron(iii) (DIRKEU01)
   937  (JSmol)              -303.6     -221.9       45.0   46.3   beta-Alaninium tetrachloro-iron(iii) (BALACF)
   943  (JSmol)              -635.0     -538.6       22.5   25.1   Aqua-chloro-(15-crown-5)-iron(ii) oxonium tetrachloro-iron(ii) monohydrate (XEQGUV)
   969  (JSmol)               -76.7       93.6       33.7   55.5   pentakis(Methylisonitrile)-cobalt(i) perchlorate (MINCOP)
   970  (JSmol)              -271.5     -118.0       55.6   87.3   Dichloro-nitrosyl-bis(trimethylphosphine)-cobalt (FALTER)
   971  (JSmol)              -419.3     -157.0       14.1   79.8   Chloro-tris(trimethylphosphine)-cobalt(i) (BUTDEZ)
   972  (JSmol)   -74.7       -75.8        -.-       46.8    -.-   Cobalt(ii) chloride (CoCl2)
   973  (JSmol)              -529.8     -406.8       20.4   97.6   Cobalt(ii) chloride hexahydrate (CoCl2 6(H2O))
   974  (JSmol)              -418.0     -312.3       21.1   82.3   Diaqua-dichloro-bis(urea)-cobalt (AQURCO10)
   975  (JSmol)              -339.1     -206.8       13.2   73.3   (+-)cis-Dichloro-bis(ethylenediamine)-cobalt(iii) chloride monohydrate (CLECOC01)
   976  (JSmol)              -515.4     -392.0       20.9   15.3   D,L-tris(Ethylenediamine)-cobalt(iii) trichloride trihydrate (COTENC01)
   977  (JSmol)              -234.1     -130.5       10.4   90.7   mer-Trichloro-(N-(3-aminopropyl)-1,3-propanediamine)-cobalt(iii) (AMPRCO)
   978  (JSmol)              -446.7     -312.7       27.2   75.8   trans-Dichloro-bis(ethylenediamine)-cobalt(iii) chloride hydrochloride dihydrate (ETDCOH02)
   984  (JSmol)              -609.9     -713.9       19.5   76.8   Diaqua-15-crown-5-cobalt tetrachloro-cobalt monohydrate (VOMWUP)
  1002  (JSmol)               -35.0      -38.4       16.4   48.2   pi-Allyl-di(thiourea) nickel(ii) chloride (ALTUNI10)
  1003  (JSmol)   -73.0       -72.4      -67.4       46.2   36.5   Nickel(ii) chloride (NiCl2)
  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)
  1008  (JSmol)              -160.8     -193.1       22.0   27.9   Potassium trichloroniccolate(ii) (KNiCl3) (ICSD 10508)
  1044  (JSmol)   -32.8        -3.2      -31.4       23.3   11.6   Copper(i) chloride (CuCl)
  1045  (JSmol)               -46.8      -40.2       17.6   11.3   tetrakis((mu-3-Chloro)-triethylamino-copper) (DEWKAR)
  1046  (JSmol)              -124.8      -25.7       28.7   64.6   Cyclo-tri-mu-thioacetamide-tris(chloro-copper(i)) (CTACCU)
  1047  (JSmol)               -60.0      -98.5       29.2   15.8   Dichloro-bis(mu-2-(2-(2-dimethylamino)ethylthio)ethanol)-di-copper(ii) (BICTAI)
  1048  (JSmol)              -146.1      -79.6       21.4   23.8   (tris(2-Aminoethyl)amine)-pyridine-copper(ii) diperchlorate (SELXIQ)
  1049  (JSmol)              -199.4     -197.4       26.0   35.3   Copper(II) chloride, dihydrate (CuCl2 2(H2O)) (ICSD 15087)
  1050  (JSmol)   -52.6       -48.2      -52.6       58.7   41.7   Copper(ii) dichloride (CuCl2)
  1051  (JSmol)              -449.4     -410.1       23.7   18.1   Diaqua-(15-crown-5)-copper(ii) diperchlorate (ROBKOI)
  1052  (JSmol)              -170.0     -176.3       31.1   26.4   Dichloro(1,2-ethanediol) copper(ii) (CETDCU10)
  1053  (JSmol)               -20.1      -37.3       28.2   21.3   bis((mu-2-Chloro)-acetonitrile-chloro-copper(ii)) (DCUCAN)
  1054  (JSmol)              -176.3     -246.7       29.0   34.3   Dichloro-(beta-thiodiglycol) copper(ii) (CTDGCU)
  1055  (JSmol)              -161.6     -260.4       24.4   47.7   Aqua-(1,4,7,10-tetrathiacyclododecane)-copper(ii) diperchlorate (CEFXAM)
  1056  (JSmol)               -81.5      -69.5       21.9   18.4   4,4'-Bipyridylium bis(mu-2-chloro)-tetrachloro-di-copper (BPYCCU)
  1057  (JSmol)              -219.9     -184.5       21.2   22.7   bis(Methylammonium) tetrachloro-copper(ii) (ZZZPMY13)
  1058  (JSmol)              -428.2     -394.7       13.5   58.8   bis(beta-Alaninium) tetrachloro-copper(ii) (BEHXIV)
  1059  (JSmol)              -425.2     -332.7       35.7   39.0   Biquanidinium hexachloro-copper(ii) dihydrate (FOWCUP)
  1060  (JSmol)              -436.0     -417.6       33.4   67.2   (15-Crown-5)-diaqua-cobalt tetrachloro-copper(ii) (JUSGAF)
  1064  (JSmol)              -201.1     -217.7       13.6   21.3   Atacamite (Cu2Cl(OH)3)
  1065  (JSmol)               -90.4     -155.6       37.2   18.6   bis(Trimethylammonium) decachlorotetracopper(ii) (MEAMCU10)
  1077  (JSmol)   -99.2      -102.0      -91.1       31.7    8.3   Zinc dichloride (ZnCl2) (ICSD 2459)
  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)
  1093  (JSmol)              -115.1     -104.9       28.0   17.2   Gallium(i) bis(1,3,5-trimethylbenzene) tetrachloro-gallium(iii) (CUPJUS)
  1094  (JSmol)              -107.4      -96.1       32.2   19.9   bis((mu-2-Chloro)-trans-chloro-methyl-gallium) (ICOHIR)
  1095  (JSmol)  -125.4      -145.0     -123.1       47.1   13.2   Gallium trichloride (GaCl3) (ICSD 413455)
  1112  (JSmol)              -243.8     -179.4       38.0   34.9   1,4-Dioxane dichloro-germanium (DIOXGC03)
  1113  (JSmol)              -191.5     -132.8       26.1   15.4   Tetramethylammonium trichloro-germanium(ii) (TMACGE20)
  1116  (JSmol)              -427.7     -254.2       69.7   22.0   Germanium chloride (Ge3Cl8) (ICSD 86673)
  1130  (JSmol)               -58.9      -65.1       26.3   33.5   2-Chloro-1,3,6,2-trithia-arsocane (CTRTAS)
  1131  (JSmol)               -95.1      -76.3       52.3   19.2   Arsenic(iii) chloride (AsCl3)
  1156  (JSmol)                -8.7      -21.9       12.8   27.7   Diselenium(ii) chloride (Se2Cl2)
  1157  (JSmol)               -52.5      -43.5       26.4   22.1   Diseleno-bis(formamidinium) dichloride (SEFORC10)
  1158  (JSmol)              -182.4     -146.1       31.6   25.0   Dioxane-seleninyl-dichloride (DOXSEC)
  1163  (JSmol)              -207.4     -168.4       15.6   22.8   tris(Selenourea) dichloride monohydrate (SECLUR)
  1165  (JSmol)                33.8      -27.3       32.3   42.1   Tetraselenonaphthalenium chloride (VAMZEO)
  1202  (JSmol)               -53.3      -51.2       18.8   18.1   XIII 1,3-dibromo-2-chloro-5-fluorobenzene
  1274  (JSmol)  -104.1      -103.8     -119.7       21.0    4.0   RbCl
  1275  (JSmol)              -130.2      -98.8       12.0   43.6   Rubidium chlorate (RbClO3) (ICSD 36260)
  1276  (JSmol)  -104.5      -114.6      -87.8       25.1   58.8   Rubidium perchlorate (RbClO4) (ICSD 63363)
  1278  (JSmol)              -458.6     -416.7       14.4   22.2   bis((18-Crown-6)-rubidium) bis(mu-2-chloro)-tetrachloro-di-copper (JUMJEG)
  1306  (JSmol)              -552.8     -483.4       31.9   23.9   catena-((mu-6-D,L-Homocysteic acid)-aqua-strontium chloride) (NARZEM)
  1307  (JSmol)  -198.1      -183.8     -193.5       36.3    2.0   Strontium chloride (SrCl2)
  1308  (JSmol)              -692.3     -626.5       36.6   37.3   bis(Glycine) strontium dichloride trihydrate (GLYSRC10)
  1309  (JSmol)              -828.3     -756.0       25.2   16.6   catena-((mu-2-Galactitol)-tetra-aqua-strontium dichloride) (AKOSAU)
  1310  (JSmol)              -559.3     -502.6       39.9   33.2   catena-((mu-3-L-alanine-O,O,O',O')-chloro-triaqua-strontium chloride) (BOPYOV)
  1311  (JSmol)              -811.8     -696.2       10.2   14.2   tetrakis(Biuret) strontium(ii) perchlorate BIURSR)
  1318  (JSmol)             -1593.1    -2278.1       32.6   64.0   Strontium chlorapatite (Sr5(PO4)3Cl) (ICSD 1404651)
  1329  (JSmol)  -239.2      -212.5     -231.5       43.0   26.7   Yttrium(iii) trichloride (YCl3) (ICSD 15684)
  1330  (JSmol)              -329.9     -353.8       46.5   32.9   Sodium yttrium(iii) tetrachloride (NaYCl4) (ICSD 1707980)
  1339  (JSmol)                19.0      -92.9       17.8   23.9   (mu-2-2,6-bis(h5-Cyclopentadienylmethyl)pyridine)-bis(2,6-bis(h5-cyclopentadienylmethyl)pyridine-N)-di-yttrium dichloromethane solvate (CAWQAT)
  1340  (JSmol)              -920.7    -1011.1       20.0   41.3   trans-Dichloro-pentakis(tetrahydrofuran)-yttrium(iii) trans-tetrachloro-bis(tetrahydrofuran)-yttrium(iii) (PEHJAN01)
  1345  (JSmol)  -120.0       -89.5     -510.7       20.6   91.3   Zirconium(ii) dichloride (ZrCl2) (ICSD 20144)
  1346  (JSmol)  -170.0      -153.9     -328.3       39.8   74.6   Zirconium(iii) trichloride (ZrCl3)
  1352  (JSmol)  -234.3      -247.9     -271.8       57.8   66.9   Zirconium(iv) tetrachloride (ZrCl4) (ICSD 26049)
  1353  (JSmol)              -989.4     -985.4       22.9   26.2   bis(15-Crown-5-sodium) difluoro-tetrachloro-zirconium(iv) ((JAVKAS)
  1354  (JSmol)              -458.4     -359.0       23.0   13.7   bis(Tetraethylammonium) hexachloro-zirconium (JESFIW)
  1355  (JSmol)              -262.7     -256.2       37.9   34.8   Iron hexachlorozirconate (FeZrCl6) (ICSD 39666)
  1364  (JSmol)  -210.2      -217.7     -178.2       26.7   69.0   Niobium(v) oxychloride (NbOCl3) (ICSD 412071)
  1365  (JSmol)  -190.6      -183.2     -177.1       28.6   93.7   Niobium(v) pentachloride (NbCl5) (ICSD 300102)
  1372  (JSmol)              -220.4     -168.9       26.9   21.6   tris(Dimethylamino)cyclopropenylium hexachloro-niobium(v) (KOWGOS)
  1377  (JSmol)              -364.3     -327.9        4.4    9.3   Lithium niobium chloride ((Nb6Cl12)Cl2 (LiCl)2) (ICSD 50232)
  1378  (JSmol)              -507.2     -479.8       29.2   16.7   Potassium niobium chloride ((Nb6Cl12)Cl2 (KCl)4) (ICSD 41118)
  1380  (JSmol)              -622.0     -614.6       19.3   26.1   18-Crown-6 hydroxonium clathrate aqua-oxo-tetrachloro-molybdenum (JOKGOF01)
  1381  (JSmol)              -608.2     -532.2       42.5   45.4   Chloro-dinitroso-(1-thia-4,7-diazacyclononane-N,N',S)-molybdenum hexafluorophosphate (SAVNOS)
  1388  (JSmol)              -122.5     -163.6       28.1   22.1   Molybdenum(V) chloride (MoCl5)
  1389  (JSmol)               -94.8     -549.7       21.5   77.5   Molybdenum(iii) chloride (MoCl3)
  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)
  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)
  1408  (JSmol)              -392.2     -441.8       10.4   30.1   K3MoCl6
  1409  (JSmol)              -393.7     -470.5       15.6   42.8   Potassium hexachloromolybdate(III) (K3MoCl6) (ICSD 22134)
  1415  (JSmol)              -317.5     -301.2       23.7   57.0   tris(Pyridinium) tris(mu-2-chloro)-bis(trichloro-molybdenum(iii)) (DISNAU)
  1419  (JSmol)               -14.6      -44.6       26.3   76.8   Technetium(iv) tetrachloride (TcCl4) (ICSD 26055)
  1423  (JSmol)              -228.4     -169.5       22.3   31.3   bis(Trichloro-tris(dimethylsulfoxide)-technetium(iv)) hexachloro-technetate(iv) (JEPQOL)
  1424  (JSmol)              -449.1     -494.3       31.7   35.2   trans-Dichloro-tetrakis(trimethylphosphine)-technetium(iii) hexafluorophosphate (QESMOQ)
  1432  (JSmol)   -49.0       -41.5      -27.3       51.4   89.8   Ruthenium(iii) trichloride (RuCl3) (ICSD 414040)
  1437  (JSmol)              -162.8     -153.6       16.8   29.8   catena-(bis(2-Amino-6-methylpyridine) hexakis(mu-2-chloro)-potassium-ruthenium(iii)) (SIBPOJ)
  1441  (JSmol)               -95.4     -148.9       20.6   18.4   meso-bis(1,4,7-Trithiacyclodecane)-ruthenium(ii) diperchlorate (TAZWOG)
  1442  (JSmol)              -362.7     -235.0       36.0   34.6   tetrakis(Dimethylammonium) hexachloro-ruthenium(iii) chloride (ENIDAG)
  1448  (JSmol)   -71.5       -28.2       71.5       29.4   62.8   Rhodium(iii) trichloride (RhCl3) (ICSD 25764)
  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)
  1458  (JSmol)                97.0      -20.9       24.9   74.3   Tetrathiacyclotetradecane-S,S',S'',S''')-rhodium(i) chloride acetonitrile solvate (DAHHEZ)
  1459  (JSmol)              -396.3     -201.3       15.4   66.7   tris(mu-2-Chloro)-bis((h5-pentamethylcyclopentadienyl)-rhodium(iii)) tetrafluoroborate (ASUKOO)
  1462  (JSmol)              -128.2     -110.3       59.0   28.4   Diammonium bis((mu-2-carbonyl)-dichloro-palladium(i)) (LUPHOT)
  1465  (JSmol)    -9.6       -10.2      -41.1       20.8   65.3   Palladium(ii) chloride (PdCl2)
  1470  (JSmol)              -297.4     -330.0       11.3    4.3   Potassium hexachloropalladate(iv) (K2PdCl6) (ICSD 65037)
  1471  (JSmol)              -205.8     -172.5       30.9   24.5   Tetra-azacyclotetradecane-palladium(ii) diperchlorate (BUXSIW10)
  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)
  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)
  1487  (JSmol)              -107.4     -661.8       75.2   82.1   Aqua-(4-chlorobenzoato-O)-silver(i) (RACZIF)
  1489  (JSmol)               -14.5     -209.8       45.0   73.7   Chloro-trithia-9-crown-3-silver(i) (JAVWIM)
  1493  (JSmol)              -114.8     -471.0       21.9   66.7   Perchlorato-bis(1,4-oxathian)-silver(i) (CIJBIG)
  1499  (JSmol)   -30.4       -16.3       21.2       36.6   91.7   Silver(i) chloride (AgCl)
  1501  (JSmol)               -20.9     -513.3        0.4   52.6   bis(2-(Aminomethyl)pyridine-N,N')-silver(i) perchlorate (RAWTIT)
  1508  (JSmol)                 2.5     -234.8       28.0   91.5   bis(chloro-(1,3,4,5-tetramethylimidazol-2-ylidene)-silver(i)) (HEBMIL)
  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)
  1520  (JSmol)                 4.1     -490.8       59.8   75.5   di-pyridine-silver(i) perchlorate (NEVRAI)
  1529  (JSmol)              -285.5    -1155.2       68.9   85.8   (tetrachlorophthalato)-ammine-silver diammine-silver monohydrate (RIVTUM)
  1540  (JSmol)   -93.6       -98.9     -155.5       41.5   19.1   Cadmium chloride (CdCl2)
  1556  (JSmol)              -492.0     -452.4       22.0   20.1   (18-Crown-6)-potassium bis(Chloro-(2,3,4,5-tetramethylphospholyl-P)-indium) (JEZDUN)
  1559  (JSmol)              -130.7     -127.6       17.1   14.2   Indium trichloride (InCl3) (ICSD 1300752)
  1561  (JSmol)              -274.6     -234.6       18.5   16.3   Tetra-n-butylammonium tetrachloro-indium (BEFFOH)
  1565  (JSmol)              -444.3     -378.4       16.3   18.8   tetrakis(Dimethylammonium) hexachloro-indium(iii) chloride (FUVCAA)
  1579  (JSmol)              -533.7     -508.5       16.3   16.2   15-Crown-5 diaqua-tetrachloro-tin(iv) (FANRUH)
  1586  (JSmol)   -77.7       -62.4      -57.7       33.1   48.2   Tin(ii) chloride (SnCl2)
  1591  (JSmol)              -315.4     -256.7       18.9   16.0   bis(Trimethylammonium) hexachloro-tin(iv) (CADNOK)
  1593  (JSmol)              -458.4     -384.1       33.1   15.2   catena-hexakis(mu-2-Chloro)-(h6-benzene)-dichloro-aluminium-tin benzene solvate (BENZSN10)
  1600  (JSmol)               -98.7      -68.8       21.1    8.1   Terpyridyl(dimethyl)chlorotin(iv) dimethyl(trichloro)stannate(iv) (SNTPYR10)
  1601  (JSmol)              -546.2     -526.2       23.2   49.0   bis(mu-2-hydroxo)-diaqua-hexachloro-tin(iv) benzene solvate monohydrate (GIMYEH)
  1607  (JSmol)               -44.7      -47.6       19.2   27.5   2-Chloro-1,3-dithia-2-stibacyclopentane (CLSSBP10)
  1610  (JSmol)   -91.3       -95.8      -77.8       14.3   40.1   Antimony trichloride (SbCl3) (ICSD 8258)
  1612  (JSmol)              -116.1      -91.4       19.5   19.0   Antimony(v) chloride (SbCl5)
  1613  (JSmol)              -118.3     -102.1       23.8   17.8   Antimony(v) pentachloride (SbCl5) (ICSD 250363)
  1617  (JSmol)              -110.2      -75.8       26.4   34.7   Trichloro-(tetramethylthiourea)-antimony(iii) (BAHZUF)
  1621  (JSmol)              -163.8      -91.9       24.5   20.3   catena-(tris(1,2,4-triazolium) (mu-2-chloro)-tetrachloroantimonate(iii) chloride)(AFEVEM)
  1648  (JSmol)   -78.1      -139.2      -83.2       59.6   23.3   Tellurium(iv) tetrachloride (TeCl4) (ICSD 411157)
  1652  (JSmol)              -233.4     -232.3       26.0   23.9   bis(Trimethylammonium) hexachloro-tellurium(iv) (BEJSAK)
  1661  (JSmol)              -456.7     -502.5       31.5   29.1   (15-Crown-5)-trichloro-tellurium hexachloro-antimony (KUHXOA)
  1662  (JSmol)              -503.9     -542.2       23.9   20.8   bis(Oxo)-dichloro-bis(18-crown-6)-di-tellurium(iv) bis(hexachloroantimonate) (LONVEP)
  1664  (JSmol)              -536.8     -509.0       22.9   11.9   catena(Tetraethoxyphosphonium nonachloro-di-tellurium(iv)) (JOJNIF)
  1666  (JSmol)              -267.0     -147.4       29.4   23.4   bis(Dimethyl(phenyl)telluronium) hexachlorotellurate (CIFVET)
  1701  (JSmol)              -247.1     -208.2        3.5    5.4   Niobium chloride iodide ((Nb6Cl12)I2) (ICSD 65968)
  1776  (JSmol)              -177.5     -249.2       20.7   23.3   Tri-isopropyl-iodo-phosphonium iodide dichloromethane solvate (DOQVEK)
  1816  (JSmol)              -111.2     -178.3       35.8   45.8   Cesium perchlorate (CsClO4) (ICSD 63364)
  1817  (JSmol)  -105.9       -86.0     -131.7       39.8    6.0   CsCl
  1842  (JSmol)              -485.6     -726.7       21.4   41.7   (18-Crown-6)-bis(perchlorato)-barium (MIFNUL)
  1845  (JSmol)              -264.9     -464.0       23.5   57.4   BaFCl
  1849  (JSmol)              -277.8     -515.7       36.0   62.5   Barium chlorate (Ba(ClO3)2) (ICSD 40285)
  1850  (JSmol)  -349.0      -348.6     -672.5       32.8   75.5   Barium chloride dihydrate (BaCl2 2(H2O)) (ICSD 2254)
  1852  (JSmol)  -204.3      -201.5     -469.4       33.9   57.2   Barium dichloride (BaCl2) (ICSD 15705)
  1865  (JSmol)              -820.2    -1071.0       24.2   37.8   Chloro-(18-crown-6)-triaqua-barium chloride dihydrate (LIFFIQ)
  1866  (JSmol)              -481.5     -749.5        9.3   26.0   Di-isothiocyanato-nonaoxabicyclo heptacosane)-barium dichloromethane solvate (COCLIP)
  1872  (JSmol)              -701.8     -924.6       17.5   19.0   bis(15-Crown-5)-barium tetrachloro-copper (HEPWOO)
  1892  (JSmol)             -1589.6    -2889.3        8.5   61.3   Alforsite (Ba5(PO4)3Cl)
  1893  (JSmol)              -432.9     -570.1       13.1   60.9   (15-Crown-5)-trichloro-lanthanum(iii) (YICCES)
  1901  (JSmol)              -674.0     -730.9       28.9   17.9   La Complex Sparkle (YIVZIM)
  1906  (JSmol)  -256.3      -241.6     -681.3       17.5   60.3   Lanthanum(iii) trichloride (LaCl3)
  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)
  1919  (JSmol)              -595.4     -834.1       13.4   18.2   Ce Complex Sparkle (GINNUM)
  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)
  1931  (JSmol)                37.8     -306.6       33.8   35.4   Nd Complex Sparkle (BILSIY)
  1935  (JSmol)              -317.7     -655.0       18.8   22.0   Nd Complex Sparkle (NATPAZ01)
  1942  (JSmol)              -443.6     -720.0       17.4   25.1   Sm Complex Sparkle (KUYBAH)
  1949  (JSmol)              -424.9     -559.8       15.1   23.2   Eu Complex Sparkle (FUXPOD)
  1952  (JSmol)              -530.3     -561.8       18.5   16.6   Eu Complex Sparkle (QAKWUU)
  1957  (JSmol)               992.2      582.2       23.5   18.8   Gd Complex Sparkle (OBUJIE)
  1959  (JSmol)               -70.6     -500.9       15.1   13.2   Gd Complex Sparkle (VEDSEC)
  1962  (JSmol)              -505.8     -656.1       14.5   17.9   Tb Complex Sparkle (FOPPUV)
  1965  (JSmol)              -354.9     -534.4       27.8   28.8   Tb Complex Sparkle (KITGAV)
  1966  (JSmol)              -395.3     -557.4       16.1   22.4   Tb Complex Sparkle (KUYBEL)
  1971  (JSmol)              -154.3     -408.7       28.0   33.4   Dy Complex Sparkle (CECLIF10)
  1972  (JSmol)             -1000.9    -1120.4       16.3   22.8   Dy Complex Sparkle (FOPNAZ)
  1973  (JSmol)              -345.6     -600.1       16.7   25.3   Dy Complex Sparkle (FUXRAR)
  1984  (JSmol)              -258.6     -529.5       41.6   33.5   Ho Complex Sparkle (XEWVIE)
  1997  (JSmol)              -297.1     -559.3       28.9   31.8   Tm Complex Sparkle (KITHAW)
  2008  (JSmol)             -1724.0    -2153.6       21.0   23.5   Yb Complex Sparkle (QAKXIJ)
  2011  (JSmol)              -988.8     -943.9       23.3   16.4   15-Crown-5 octa-aqua-lutetium trichloride (FILVUR)
  2012  (JSmol)               -83.1     -130.1       17.3   11.3   Chloro-bis(cyclopentadienyl)-(tetrahydrofuran)-lutetium (FATGIQ10)
  2016  (JSmol)               106.1     -558.2       35.7   38.9   Lu Complex Sparkle (ICSD 110102)
  2017  (JSmol)              -222.8     -464.2       21.8   38.5   Lu Complex Sparkle (ICSD 410763)
  2024  (JSmol)              -562.2     -478.1       39.4   34.9   Lutetium(iii) perchlorate trihydrate (Lu[ClO4]3[H2O]3)
  2026  (JSmol)              -179.6     -248.3       18.5   19.4   Lutetium(iii) trichloride (LuCl3)
  2030  (JSmol)              -430.5     -451.1       20.9   23.2   Trichloro-(triethylene glycol)-lutetium (FUXSEW)
  2031  (JSmol)              -384.1     -395.5       20.5   14.7   Trichloro-tris(tetrahydrofuran)-lutetium (HAFWAM)
  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)
  2044  (JSmol)  -236.7      -234.2     -343.6       37.4   67.2   Hafnium(iv) tetrachloride (HfCl4)
  2050  (JSmol)               -60.8        2.3       18.4   18.0   bis(N,N-(Dipyrrolyl-2-methyl)-N-methylamido)-hafnium(iv) dichloromethane solvate (LULCEA)
  2053  (JSmol)              -314.4     -370.9       24.9   37.6   Dichloro-(bis(h4-tetramethylcyclopentadienyl)dimethylphosphonium)-hafnium iodide (ICEHED)
  2059  (JSmol)              -617.1     -555.5       13.5   15.9   18-Crown-6 oxonium hexachloro-tantalum(v) (TEDYUW)
  2066  (JSmol)              -180.1        -.-       66.6    -.-   Tantalum(iv) tetrachloride (TaCl4) (ICSD 402406)
  2069  (JSmol)  -205.3      -200.9     -180.4       62.4   46.8   Tantalum(v) pentachloride (TaCl5) (ICSD 409433)
  2072  (JSmol)              -458.1     -376.1       23.3   23.0   tetrakis(2,2,6,6-Tetramethylheptane-3,5-dionato)-tantalum(v) hexachlorotantalate (QAQPAA)
  2073  (JSmol)              -154.7      -78.7       16.6   15.1   tetrakis(hexahydro-pyrimido[1,2-a]pyrimidyl)-tantalum hexachloro-tantalum (EMUDAR)
  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)
  2094  (JSmol)  -186.5      -183.2     -197.0       23.4   23.2   Tungsten chloride oxide (WO2Cl2) (ICSD 28510)
  2095  (JSmol)   -61.5      -140.3        -.-       51.0    -.-   Tungsten dichloride (WCl2) (ICSD 542032)
  2097  (JSmol)  -160.4      -177.4     -167.7       43.1   56.4   Tungsten oxide tetrachloride (WOCl4) (ICSD 25519)
  2101  (JSmol)  -144.0      -119.5     -129.3       30.5   63.5   Tungsten(vi) hexachloride (WCl6) (ICSD 2365)
  2115  (JSmol)              -692.8     -788.4       31.1   24.9   bis(Dichloro-tungstocenium) hexakis(mu-2-fluoro)-dodecakisfluoro-tetra-tungsten (JUTPET)
  2119  (JSmol)               -65.9       11.6       38.6   23.5   Pyridinium pentachloro-(pyridine)-rhenium(iv) (AKINUD)
  2122  (JSmol)   -63.1       -32.4       60.4       24.2   48.2   Rhenium(iii) trichloride (ReCl3) (ICSD 62222)
  2123  (JSmol)               -32.5       21.1       26.7   73.3   Rhenium(iv) tetrachloride (ReCl4) (ICSD 1301314)
  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)
  2130  (JSmol)              -262.0     -201.1       22.3   24.9   tris(Tetrachlorocatecholato-O,O')-rhenium(vi) anisole solvate (FEGFUS)
  2131  (JSmol)              -115.5      -35.8       19.8   21.4   trans-bis(Pyridinium)methane di-iodo-tetrachloro-rhenium(iv) dimethylsulfoxide solvate (NOYRUO)
  2135  (JSmol)             76481.0     -160.2       99.0   60.1   Catena-di-mu-chloro-dichloroosmium(IV) (OsCl4)
  2136  (JSmol)              -375.0     -416.5       16.8   16.5   Chloro-osmocenium hexafluorophosphate (WEHLEA)
  2146  (JSmol)               -91.7     -197.8       43.5   31.7   Tetraethylammonium cis-tetrachlorodifluoroosmate(v) (CAXSAV)
  2151  (JSmol)              -129.4     -207.2       25.0   29.3   bis(Tetra-n-butylammonium) decachloro-di-osmium(iv) (CIPTEA)
  2156  (JSmol)              -365.9     -228.3       28.3   18.1   mu-2-Pyrazine-N,N')-decakis(ammine)-di-osmium(iii) hexachloride dihydrate (DOBGEG)
  2157  (JSmol)              -262.4     -252.1       23.8   23.3   tetrakis(mu-2-Acetato)-dichloro-di-osmium (COHNUI)
  2168  (JSmol)              -305.8     -321.4       22.4   19.7   fac-Cesium trichloro-tricarbonyl-osmium(ii) (PENJOO)
  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)
  2175  (JSmol)   -58.7       -45.6     -149.8        6.1   93.0   Iridium(iii) trichloride (IrCl3) (ICSD 23171)
  2176  (JSmol)   -58.7       -45.5     -235.2        4.7   91.6   Iridium(iii) trichloride (IrCl3) (ICSD 25716)
  2185  (JSmol)                97.7      -29.2       15.6   96.1   bis(mu-2-Chloro)-bis(1,5-cyclo-octadiene)-di-iridium(i) (QQQCXA02)
  2186  (JSmol)              -121.1      -23.8       18.0   66.8   fac-(1,4,7-Triazacyclononane-trichloro-iridium) (YAPGOL)
  2187  (JSmol)              -178.3     -237.7       25.3   59.4   fac-Tetraethylammonium trichloro-trifluoro-iridium(v) (MAKGUA)
  2193  (JSmol)             88191.5     3146.6       99.9    -.-   Cesium hexachloroiridate(iv) (Cs2IrCl6) (ICSD 69142)
  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)
  2201  (JSmol)   -29.5         2.1       -6.3        6.8   17.1   Platinum(ii) chloride (PtCl2)
  2203  (JSmol)   -55.4       -30.9        4.7       43.0   68.6   Platinum(iv) tetrachloride (PtCl4) (ICSD 22073)
  2205  (JSmol)              -274.9     -250.7        3.3   16.0   Potassium hexachloroplatinate(iv) (K2PtCl6) (ICSD 68765)
  2209  (JSmol)              -185.6     -155.4       22.9   23.3   Zeise's salt - Potassium trichloroethylene platinate monohydrate (KCLEPT12)
  2210  (JSmol)              -102.1     -125.0       21.6   20.5   bis(1,2-Ethylenediamine-N,N')-platinum(ii) dichloride (ZZZEDM02)
  2211  (JSmol)             -2910.6    -2803.0       17.9   22.6   bis(Cucurbit(5)uril) bis(aqua-potassium) hexachloro-platinate monohydrate clathrate hydrate (OFOMEC)
  2214  (JSmol)              -228.7     -156.6       21.4   11.9   bis(Tetramethylammonium) hexachloro-platinum(iv) (TMAMPC)
  2216  (JSmol)              -284.5     -167.4       18.4   14.3   bis(mu-2-Amido)-bis(tetra-ammine-platinum(iv)) hexachloride dimethylsulfoxide solvate (BOGPAO)
  2220  (JSmol)              -394.1     -380.4       20.2   29.3   (18-Crown-6)-rubidium tetrachloro-gold(iii) (DONYOU)
  2222  (JSmol)              -342.6     -338.6       34.4   48.7   18-Crown-6 potassium dichloroaurate(i) (MUVTAY)
  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)
  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)
  2234  (JSmol)    -8.3       -20.3      -96.7       34.1   64.6   Gold(i) chloride (AuCl) (ICSD 6052)
  2238  (JSmol)   -28.1        20.6      -40.3       19.6   52.9   Gold(iii) trichloride (AuCl3) (ICSD 22146)
  2239  (JSmol)               -62.7      -80.6       20.0   26.6   Guanidinium tetrachloro-gold(iii) (DILJIR)
  2245  (JSmol)               -57.3      -94.3       13.0   70.6   bis(Azacyclohexadienylidene)-gold(i) chloride dihydrate (WEKKIG)
  2247  (JSmol)               -50.8      -82.9       18.7   47.8   bis(Thiourea)-gold(i) chloride (AFAWUZ)
  2249  (JSmol)              -169.4     -216.6       14.0   17.4   bis(mu-2-bis(Dimethylphosphino)methane-P,P')-di-gold(i) dichloride dihydrate (DUKREG01)
  2258  (JSmol)              -194.3     -204.9       30.6   35.3   Tetra-ammine-palladium(ii) tetrachloro-gold(iii) (KIYVUK)
  2262  (JSmol)              -321.7     -288.6       16.0    8.0   18-Crown-6-dichloro-mercury(II) (CESZOP)
  2267  (JSmol)   -53.6       -54.0      -29.6       50.4   70.2   Mercury dichloride (HgCl2)
  2291  (JSmol)   -63.4       -38.5      -79.8       12.7   79.5   Mercury(i) chloride (Hg2Cl2) (ICSD 65441)
  2295  (JSmol)              -189.9     -186.0       27.4   52.4   Dichloro-(18-crown-6)-thallium tetrachloro-thallate (XORQIE)
  2299  (JSmol)   -48.8       -50.2      -67.3       36.4   74.9   Thallium chloride (TlCl)
  2306  (JSmol)               -60.6      -42.9       56.5   54.2   Thallium(i) tetrachlorothallate(iii) (Tl2Cl4) (ICSD 4031)
  2307  (JSmol)   -75.3       -57.0      -35.9       16.8   48.5   Thallium(iii) trichloride (TlCl3) (ICSD 1300751)
  2310  (JSmol)              -153.1      -86.6       28.4   47.7   bis(Diamino-3-pyridinium) pentachloro thallium (PEVXEU)
  2321  (JSmol)              -353.0     -360.8       32.7   27.7   18-Crown-6-dichloro-lead(ii) (NOMJUV)
  2326  (JSmol)              -505.8     -495.0       21.9   18.5   Chloro-(18-crown-6)-lead hexachloroantimony (HARBOR)
  2338  (JSmol)   -85.9       -60.8      -82.7       47.3   62.0   Lead(ii) chloride (PbCl2)
  2340  (JSmol)                -1.1      -41.0       28.3   19.3   Lead(iv) tetrachloride (PbCl4) (ICSD 280975)
  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)
  2355  (JSmol)              -257.5     -354.6       23.3   77.1   Phosgenite (Pb2(CO3)Cl2)
  2356  (JSmol)              -874.0     -694.8       16.0   17.5   bis(tris(Ethylenediamine)-cobalt(iii)) catena(bis(mu-2-chloro)-heptachloro-di-lead(ii)) chloride trihydrate (ENCOPB)
  2362  (JSmol)              -662.3     -773.2       29.1   18.5   Mimetite (Pb5As3O12Cl)
  2363  (JSmol)              -976.2    -1559.5       29.2   54.5   Pyromorphite (Pb5(PO4)3(Cl))
  2366  (JSmol)              -874.0     -900.3       36.3   44.2   Vanadinite (Pb5(VO4)3Cl)
  2367  (JSmol)             -4394.4        -.-       31.2    -.-   Boleite (KPb26Ag9Cu24Cl62(OH)48)
  2371  (JSmol)   -87.7       -76.9      -53.0       23.3   47.1   Bismuth oxychloride (BiOCl) (ICSD 74502)
  2374  (JSmol)   -90.6      -110.2      -90.1       57.9   60.7   Bismuth trichloride (BiCl3) (ICSD 1250429)
  2386  (JSmol)              -348.8     -292.2       77.1   76.0   bis(Dichloro-(18-crown-6)-bismuth(iii)) bis(mu-2-chloro)-bis(trichloro-bismuth(iii)) (KAMWOK)
  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)
  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)
  2395  (JSmol)              -139.8     -118.0       21.6   17.4   tetrakis(2,2'-Bipyridinium) tetrakis((mu-2-chloro)-tetrachloro-bismuthate(iii)) (PURLOD01)
  2400  (JSmol)              -807.8     -669.1       21.6    6.5   catena(tris(Guanidinium) trichloro-tris(oxalato-O,O')-di-bismuth(iii)) (CAHMAZ)
  2405  (JSmol)              -642.2     -659.3       31.7   20.4   Potassium octapyridinium tris(hexachlorobismuthate(iii)) (BIPGAJ)