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 24 Platinum-containing Solids predicted using PM7 and PM6-D3H4 with X-Ray

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Average unsigned error in PM7 HoF: 17.19 kcal/mol, for 6 solids
Average unsigned error in PM6-D3H4 HoF: 38.43 kcal/mol, for 6 solids

     #     GUI   Heat of formation (Kcal/formula unit) Geometry        Species
                    Ref.        PM7     PM6-D3H4      PM7 PM6-D3H4 
  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)
  2199  (JSmol)     0.0        16.2      -10.8       36.8   28.4   Platinum (Pt) (ICSD 649490) fcc
  2200  (JSmol)   -19.6       -21.7       -4.7       10.6   15.5   Platinum(ii) bromide (PtBr2)
  2201  (JSmol)   -29.5         2.1       -6.3        6.8   17.1   Platinum(ii) chloride (PtCl2)
  2202  (JSmol)   -26.0       -50.8        0.3       24.8   37.0   Platinum(iv) disulfide (PtS2) (ICSD 41375)
  2203  (JSmol)   -55.4       -30.9        4.7       43.0   68.6   Platinum(iv) tetrachloride (PtCl4) (ICSD 22073)
  2204  (JSmol)              -135.3     -179.8       14.5   62.5   Platinum(iv) tetrafluoride (PtF4) (ICSD 71579)
  2205  (JSmol)              -274.9     -250.7        3.3   16.0   Potassium hexachloroplatinate(iv) (K2PtCl6) (ICSD 68765)
  2206  (JSmol)              -481.1     -556.4       47.2   18.3   Potassium hexafluoroplatinate(iv) (K2PtF6) (ICSD 16892)
  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)
  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)
  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)
  2217  (JSmol)               -11.8        -.-       22.2    -.-   Platinum(ii) iodide (PtI2)
  2218  (JSmol)   -17.4       -21.5     -112.7       11.4   33.6   Platinum(iv) tetraiodide (PtI4) (ICSD 15173)
  2219  (JSmol)               -73.4     -154.0       20.9   25.6   Triethylsulfonium hexakis(iodo)-platinum(iv) (KIBMIS)