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 24 Platinum-containing Solids predicted using PM7 with X-Ray
(All solids - Periodic Table - Home - PM7 Accuracy - Manual)
Average unsigned error in PM7 HoF: 17.94 kcal/mol, for 6 solids
Average unsigned error in PM6 HoF: 39.03 kcal/mol, for 6 solids
# GUI Heat of formation (Kcal/formula unit) Geometry Species
Ref. PM7 PM6 PM7 PM6
2128 (JSmol) 0.0 16.1 -5.4 36.7 21.2 Platinum (Pt) (ICSD 649490) fcc
2129 (JSmol) -347.0 -314.8 17.3 17.7 bis(Guanidinium) bis(oxalato)-platinum(ii) (AJESEN)
2130 (JSmol) -135.0 -173.6 6.9 62.4 Platinum(iv) tetrafluoride (PtF4) (ICSD 71579)
2131 (JSmol) -338.4 -345.3 26.9 34.4 bis(Tetramethylammonium) hexafluoroplatinate(iv) (TMAPTF01)
2132 (JSmol) -26.0 -50.5 4.0 20.1 37.1 Platinum(iv) disulfide (PtS2) (ICSD 41375)
2133 (JSmol) -478.3 -441.0 21.9 32.8 (2,2'-Bipyrimidine)-chloro-(dimethyl sulfoxide)-platinum(ii) hexafluorophosphate (USOWIJ)
2134 (JSmol) -29.5 0.6 -4.0 6.8 16.8 Platinum(ii) chloride (PtCl2)
2135 (JSmol) -95.3 -101.2 21.0 21.4 bis(1,2-Ethylenediamine-N,N')-platinum(ii) dichloride (ZZZEDM02)
2136 (JSmol) -285.6 -197.6 14.3 11.2 bis(mu-2-Amido)-bis(tetra-ammine-platinum(iv)) hexachloride dimethylsulfoxide solvate (BOGPAO)
2137 (JSmol) -55.4 -31.7 6.7 41.8 68.6 Platinum(iv) tetrachloride (PtCl4) (ICSD 22073)
2138 (JSmol) -108.3 -99.6 15.4 13.3 N,N,N',N'-Tetramethylethylenediammonium tetrachloro-platinum(ii) (CULZIS)
2139 (JSmol) -210.4 -149.6 12.2 5.8 N,N,N',N'-Tetramethylethylenediammonium hexachloro-platinum(iv) (CULZOY)
2140 (JSmol) -233.4 -168.1 16.9 11.1 bis(Tetramethylammonium) hexachloro-platinum(iv) (TMAMPC)
2141 (JSmol) -187.1 -153.2 20.4 22.9 Zeise's salt - Potassium trichloroethylene platinate monohydrate (KCLEPT12)
2142 (JSmol) -483.3 -547.6 45.5 18.3 Potassium hexafluoroplatinate(iv) (K2PtF6) (ICSD 16892)
2143 (JSmol) -275.3 -244.3 3.4 16.0 Potassium hexachloroplatinate(iv) (K2PtCl6) (ICSD 68765)
2144 (JSmol) -2801.4 -2625.7 11.1 20.5 bis(Cucurbit(5)uril) bis(aqua-potassium) hexachloro-platinate monohydrate clathrate hydrate (OFOMEC)
2145 (JSmol) -19.6 -24.4 2.4 10.7 14.7 Platinum(ii) bromide (PtBr2)
2146 (JSmol) -544.1 -499.8 8.5 48.0 Tetra-ammine-trans-dibromo-platinum(iv) bis(methanesulfonate) monohydrate (TARFIB)
2147 (JSmol) -56.0 -65.1 12.0 8.9 Tetraethylammonium tetrabromo-di-mu-bromo-diplatinum(ii) (ETABPT01)
2148 (JSmol) -272.7 -770.2 28.0 68.2 bis(Diammine-silver(i)) dioxalato-platinum(ii) (TEJKOJ)
2149 (JSmol) -13.8 -392.2 17.4 79.1 Platinum(ii) iodide (PtI2)
2150 (JSmol) -17.4 -25.9 -106.6 11.4 33.6 Platinum(iv) tetraiodide (PtI4) (ICSD 15173)
2151 (JSmol) -27.6 -169.0 25.6 24.4 Triethylsulfonium hexakis(iodo)-platinum(iv) (KIBMIS)