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 35 Osmium-containing Solids predicted using PM7 with X-Ray
(All solids - Periodic Table - Home - PM7 Accuracy - Manual)
Average unsigned error in PM7 HoF: 10.84 kcal/mol, for 3 solids
Average unsigned error in PM6 HoF: 211.12 kcal/mol, for 3 solids
# GUI Heat of formation (Kcal/formula unit) Geometry Species
Ref. PM7 PM6 PM7 PM6
2067 (JSmol) 0.0 8.1 -540.9 50.6 37.8 Osmium (Os) (ICSD 747701) hcp
2068 (JSmol) 67.8 74.1 29.0 15.3 25.7 Osmocene (Os(Cp)2) (SINWER)
2069 (JSmol) -94.2 -76.1 -147.8 17.9 36.8 Osmium(viii) tetroxide (OsO4)
2070 (JSmol) -159.2 -257.6 28.1 22.3 Tetramethylammonium fluorotetraoxoosmate (XAKBUG)
2071 (JSmol) -37.3 -300.5 49.8 55.2 Osmium(v) pentafluoride (OsF5) (ICSD 14117)
2072 (JSmol) 16.1 -300.2 17.3 42.8 Osmium(vi) hexafluoride (OsF6)
2073 (JSmol) -177.3 -351.7 30.9 20.1 bis(Tetramethylammonium) hexafluoro-osmium(iv) (UFEPEA)
2074 (JSmol) -261.1 -248.1 25.5 24.5 tetrakis(mu-2-Acetato)-dichloro-di-osmium (COHNUI)
2075 (JSmol) -373.4 -397.9 16.7 16.5 Chloro-osmocenium hexafluorophosphate (WEHLEA)
2076 (JSmol) -361.1 -225.8 24.2 15.4 mu-2-Pyrazine-N,N')-decakis(ammine)-di-osmium(iii) hexachloride dihydrate (DOBGEG)
2077 (JSmol) -17.2 -156.8 58.5 59.1 Catena-di-mu-chloro-dichloroosmium(IV) (OsCl4)
2078 (JSmol) -113.7 -204.9 30.0 28.7 Tetraethylammonium cis-tetrachlorodifluoroosmate(v) (CAXSAV)
2079 (JSmol) -127.3 -216.9 19.9 24.5 bis(Tetra-n-butylammonium) decachloro-di-osmium(iv) (CIPTEA)
2080 (JSmol) -705.6 -672.9 12.0 31.8 Di-potassium dioxo-bis(oxalato-O,O')-osmium(vi) dihydrate (BOGPOD)
2081 (JSmol) -136.8 -106.8 16.5 36.5 cis-1,2-Ethylenediamine-bis(1,2-ethylenediaminato)-osmium(iv) dibromide (BOSRUW)
2082 (JSmol) -91.5 -84.1 14.7 22.6 trans-Dicarbonyl-dibromo-(2,2'-bipyridine)-osmium (NIKPED)
2083 (JSmol) -221.6 -220.1 26.8 33.3 trans-bis(Acetylacetonato)-dibromo-osmium (RILRUZ)
2084 (JSmol) -22.4 -195.2 20.6 33.7 Dipyridinomethane cis-dibromo-tetrafluoro-osmium(iv) (NILVOT)
2085 (JSmol) -312.0 -347.0 21.8 30.3 Dibromo-tetrakis(dimethyl sulfoxide-S)-osmium(ii) (SAWZAR)
2086 (JSmol) 37.3 20.4 12.4 12.0 mer-Tribromo-tris(pyridine)-osmium(iii) (GOBBUU)
2087 (JSmol) -206.5 -136.8 8.4 13.2 Tribromo-nitrosyl-diethylsulfido-(diethylsulfoxide-O)-osmium(ii) (SOGYAO)
2088 (JSmol) 29.5 -125.0 18.9 20.5 Osmium(iv) tetrabromide (OsBr4)
2089 (JSmol) -118.7 -179.8 19.3 16.7 bis(Tetra-n-butylammonium) bis(tetrabromo-osmium(iii)) (DUGLIA)
2090 (JSmol) -113.9 -73.5 24.4 19.7 trans-Tetrabromo-bis(tetrahydrothiophene)-osmium (GOMXEL)
2091 (JSmol) -78.3 -198.8 11.2 10.7 bis(Tetra-n-butyl-ammonium) bis(mu-2-bromo)-octabromo-di-osmium (COZZIA)
2092 (JSmol) 30.0 9.5 14.9 15.1 bis(Triphenylphosphonium) hexabromo-osmium(iv) (GEBMAB)
2093 (JSmol) -318.2 -332.8 11.6 14.8 Dicarbonyl-iodo-methyl-bis(trimethylphosphine)-osmium (SUJVOI)
2094 (JSmol) 66.7 112.0 12.3 10.2 trans-Di-iodo-tetrakis(pyridine)-osmium(ii) (TULHUD)
2095 (JSmol) -74.1 -37.1 15.9 12.5 trans-Dicarbonyl-di-iodo-(2,2'-bipyridine)-osmium (NIKPIH)
2096 (JSmol) 42.0 -178.3 71.0 45.2 Osmium(iii) triiodide (OsI3)
2097 (JSmol) 70.5 92.2 15.8 10.6 mer-Tri-iodo-tris(pyridine)-osmium(iii) (GOBCAB)
2098 (JSmol) -127.4 -120.9 10.3 12.4 bis(Tetramethylammonium) tetraiodo-fluoro-nitrosyl-osmium (TEDYEG)
2099 (JSmol) 67.2 27.5 21.1 25.5 Tetraphenylphosphonium acetylacetonato-tetra-iodo-osmium(iv) (NAPLEV)
2100 (JSmol) -306.8 -313.6 22.4 19.8 fac-Cesium trichloro-tricarbonyl-osmium(ii) (PENJOO)
2101 (JSmol) 49.0 -158.1 22.7 20.3 bromo-bis(tetramethylcyclopentadienyl)-osmium(iv) bis(mu-2-bromo)-dibromo-bis(cyclo-1,5-octadiene)-di-osmium(iii) (KEMPOI)