Time stamp: Thu Mar 11 08:55:57 2021
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 and PM6-D3H4 with X-Ray
(All solids - Periodic Table - Home - Accuracy - Manual)
Average unsigned error in PM7 HoF: 17.10 kcal/mol, for 6 solids
Average unsigned error in PM6-D3H4 HoF: 38.48 kcal/mol, for 6 solids
# GUI Heat of formation (Kcal/formula unit) Geometry Species
Ref. PM7 PM6-D3H4 PM7 PM6-D3H4
2204 (JSmol) -487.8 -450.1 18.4 32.6 (2,2'-Bipyrimidine)-chloro-(dimethyl sulfoxide)-platinum(ii) hexafluorophosphate (USOWIJ)
2205 (JSmol) -207.5 -157.6 15.4 7.2 N,N,N',N'-Tetramethylethylenediammonium hexachloro-platinum(iv) (CULZOY)
2206 (JSmol) -114.4 -97.5 19.6 14.0 N,N,N',N'-Tetramethylethylenediammonium tetrachloro-platinum(ii) (CULZIS)
2207 (JSmol) 0.0 16.2 -11.0 36.8 31.3 Platinum (Pt) (ICSD 649490) fcc
2208 (JSmol) -19.6 -21.7 -4.7 10.6 15.4 Platinum(ii) bromide (PtBr2)
2209 (JSmol) -29.5 0.6 -6.3 6.8 17.1 Platinum(ii) chloride (PtCl2)
2210 (JSmol) -26.0 -50.9 0.3 26.3 37.0 Platinum(iv) disulfide (PtS2) (ICSD 41375)
2211 (JSmol) -55.4 -31.9 4.7 42.9 68.6 Platinum(iv) tetrachloride (PtCl4) (ICSD 22073)
2212 (JSmol) -135.6 -179.8 14.5 62.5 Platinum(iv) tetrafluoride (PtF4) (ICSD 71579)
2213 (JSmol) -277.3 -250.7 3.8 16.0 Potassium hexachloroplatinate(iv) (K2PtCl6) (ICSD 68765)
2214 (JSmol) -481.6 -556.4 47.3 18.3 Potassium hexafluoroplatinate(iv) (K2PtF6) (ICSD 16892)
2215 (JSmol) -544.4 -550.8 8.2 54.1 Tetra-ammine-trans-dibromo-platinum(iv) bis(methanesulfonate) monohydrate (TARFIB)
2216 (JSmol) -57.1 -59.0 11.2 9.3 Tetraethylammonium tetrabromo-di-mu-bromo-diplatinum(ii) (ETABPT01)
2217 (JSmol) -186.8 -155.4 22.9 23.0 Zeise's salt - Potassium trichloroethylene platinate monohydrate (KCLEPT12)
2218 (JSmol) -105.3 -124.4 21.1 28.0 bis(1,2-Ethylenediamine-N,N')-platinum(ii) dichloride (ZZZEDM02)
2219 (JSmol) -2899.6 -2802.4 17.8 24.3 bis(Cucurbit(5)uril) bis(aqua-potassium) hexachloro-platinate monohydrate clathrate hydrate (OFOMEC)
2220 (JSmol) -279.8 -835.6 31.2 69.1 bis(Diammine-silver(i)) dioxalato-platinum(ii) (TEJKOJ)
2221 (JSmol) -369.5 -357.1 22.3 24.8 bis(Guanidinium) bis(oxalato)-platinum(ii) (AJESEN)
2222 (JSmol) -228.5 -166.0 21.3 11.5 bis(Tetramethylammonium) hexachloro-platinum(iv) (TMAMPC)
2223 (JSmol) -339.9 -325.4 26.6 36.0 bis(Tetramethylammonium) hexafluoroplatinate(iv) (TMAPTF01)
2224 (JSmol) -288.7 -139.7 18.3 18.4 bis(mu-2-Amido)-bis(tetra-ammine-platinum(iv)) hexachloride dimethylsulfoxide solvate (BOGPAO)
2225 (JSmol) -12.3 -.- 22.2 -.- Platinum(ii) iodide (PtI2)
2226 (JSmol) -17.4 -23.2 -112.7 11.4 33.6 Platinum(iv) tetraiodide (PtI4) (ICSD 15173)
2227 (JSmol) -93.9 -154.2 30.9 29.3 Triethylsulfonium hexakis(iodo)-platinum(iv) (KIBMIS)