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)