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 50 Antimony-containing Solids predicted using PM7 with X-Ray

(All solids - Periodic Table - Home - PM7 Accuracy - Manual)

Average unsigned error in PM7 HoF: 18.84 kcal/mol, for 8 solids
Average unsigned error in PM6 HoF: 17.01 kcal/mol, for 8 solids

     #     GUI   Heat of formation (Kcal/formula unit) Geometry        Species
                    Ref.        PM7        PM6        PM7    PM6 
  1538   (JSmol)     0.0       -14.5      -23.1       20.0   35.5  Antimony (Sb) (ICSD 651499)
  1539   (JSmol)              -437.8     -444.6       18.0   38.5  beta-Alaninium EDTA-antimonate(iii) (BAWQIZ)
  1540   (JSmol)  -218.8      -238.1     -214.8       27.9   52.5  Antimony(iii) fluoride (SbF3)
  1541   (JSmol)              -257.7     -242.4       14.5   32.5  (mu-2-Pyrazine)-decafluoro-di-antimony (TUSBAK)
  1542   (JSmol)              -494.4     -457.0       12.2   20.4  Lithium hexafluoroantimonate (LiSbF6) (ICSD 23924)
  1543   (JSmol)              -382.0     -383.6       31.1   36.2  1-ethyl-3-methylimidazolium hexafluoroantimonate (AQEYIE)
  1544   (JSmol)              -448.6     -488.9       16.7   14.0  Sodium hexafluoroantimonate (NaSbF6) (ICSD 77919)
  1545   (JSmol)   -23.0       -53.5      -63.0       75.0   14.6  Aluminum antimonide (AlSb)
  1546   (JSmol)              -406.2     -481.9       44.0   23.8  catena-(Butane-1,4-diammonium (mu-2-1-hydroxyethyldiphosphonato)-antimony(iii)) (AHEKED)
  1547   (JSmol)              -463.5     -400.4       40.8   41.4  bis(Guanidinium) sulfato-trifluoro-antimony(iii) (BEYXAE)
  1548   (JSmol)              -585.5     -599.3       19.9   31.2  (Trifluoromethylsulfonic acid-O)-pentafluoro-antimony (SOVWEF)
  1549   (JSmol)                 0.2       -8.8       21.4   16.9  tris(1-Pyrrolidinecarbodithioato)-antimony(iii) (PYCTSB)
  1550   (JSmol)               -55.9      -83.7       27.9   17.9  tris(O-Methyl dithiocarbonato-S,S')-antimony(iii) (FEXLUP)
  1551   (JSmol)               -44.7      -42.6       19.4   21.5  2-Chloro-1,3-dithia-2-stibacyclopentane (CLSSBP10)
  1552   (JSmol)   -91.3       -96.5      -73.9       15.0   40.1  Antimony trichloride (SbCl3) (ICSD 8258)
  1553   (JSmol)              -109.8      -84.2       29.1   31.7  Trichloro-(tetramethylthiourea)-antimony(iii) (BAHZUF)
  1554   (JSmol)              -118.6      -84.9       19.5   19.0  Antimony(v) chloride (SbCl5)
  1555   (JSmol)              -117.9      -94.3       23.0   18.6  Antimony(v) pentachloride (SbCl5) (ICSD 250363)
  1556   (JSmol)              -136.9      -63.1       17.7   20.4  catena-(tris(1,2,4-triazolium) (mu-2-chloro)-tetrachloroantimonate(iii) chloride)(AFEVEM)
  1557   (JSmol)              -471.4     -583.3        8.7   60.8  Potassium hexafluoroantimonate (KSbF6) (ICSD 632)
  1558   (JSmol)              -120.9     -124.8        9.8   12.3  Dibromo-dimethyl-acetylacetonato-antimony(v) (MBACSB10)
  1559   (JSmol)   -62.0       -70.7      -59.8       40.6   29.2  Antimony(iii) bromide (SbBr3)
  1560   (JSmol)               -81.0     -102.6       21.9   42.1  catena-(4-Aminopyridinium bis(mu-2-bromo)-dibromo-antimony(iii)) (ENIKIV)
  1561   (JSmol)               -43.9      -60.7       23.6   31.2  (4,4-bipyridinedi-ium) 4,4-bipyridinium hexabromo-antimony(iii) (DOSYAM)
  1562   (JSmol)              -457.5     -626.2       42.8   60.4  Rubidium hexafluoroantimonate (RbSbF6) (ICSD 408071)
  1563   (JSmol)              -309.3     -334.3       32.2   64.7  Silver hexafluoroantimonate (AgSbF6) (ICSD 411795)
  1564   (JSmol)  -232.3      -181.7     -262.6       23.2   17.5  Antimony(v) pentoxide (Sb2O5) (ICSD 1422)
  1565   (JSmol)              -469.4     -431.8       44.9   54.0  (mu-2-Oxo)-bis(difluoro-urea-antimony) (UROFSB10)
  1566   (JSmol)              -882.5     -875.9       20.1   17.0  bis((mu-2-Oxo)-(mu-2-trifluoroacetato-O,O')-trifluoro-antimony(v)) (OFAFSB01)
  1567   (JSmol)             -1051.6    -1082.2        8.4   16.1  (Perfluoroisopropyl)oxonium (mu-2-fluoro)-bis(pentafluoro-antimonate) (GOBDEG)
  1568   (JSmol)               -51.1      -75.0       50.4   26.5  Stibnite (Sb2S3)
  1569   (JSmol)              -609.3     -512.6       30.9   37.9  Antimony sulfate (Sb2(SO4)3) (ICSD 618)
  1570   (JSmol)              -826.7     -835.4       31.1   42.6  Di-potassium bis(tartrato)-di-antimony trihydrate (DKSBTR)
  1571   (JSmol)               -65.1      -59.8       13.2    9.1  bis(Dimethyldibromo-antimony)methane (CEHGAX)
  1572   (JSmol)             -1005.7     -962.2       18.9   14.7  Hexacarbonyl-ruthenium(ii) bis(hexafluoroantimonate(v)) (LARPAW)
  1573   (JSmol)  -338.8      -354.7     -328.4       38.6    5.3  Antimony(iii) trioxide (Sb4O6) (ICSD 16851)
  1574   (JSmol)              -822.9     -863.7       37.4   32.7  Hexamethyldistibonium bis(hexafluoroantimonate) sulfur dioxide (BOFPER)
  1575   (JSmol)             -1102.2     -944.6       27.4   33.2  tris(18-Crown-6 Diammine potassium) undeca-antimonide ammonia solvate (DELHAE)
  1595   (JSmol)              -499.2     -516.2       17.8   20.5  bis(Oxo)-dichloro-bis(18-crown-6)-di-tellurium(iv) bis(hexachloroantimonate) (LONVEP)
  1596   (JSmol)              -452.4     -480.7       31.6   28.4  (15-Crown-5)-trichloro-tellurium hexachloro-antimony (KUHXOA)
  1641   (JSmol)               -21.8      -32.4       38.1   20.6  Iodo-(ethane-1,2-dithiolato)-antimony (AFOFAD)
  1675   (JSmol)               -44.2      -60.9       21.5   10.4  catena(bis(N,N-Diethyldithiocarbamato)-iodo-antimony(iii)) iodine (ETCSBB)
  1702   (JSmol)   -24.0       -18.0      -32.8       37.2   40.0  Antimony(iii) iodide (SbI3)
  1703   (JSmol)               -21.0       -1.2       18.7   67.7  (1,4,7-Trithiacyclononane)-tri-iodo-antimony(iii) (JUYKUJ)
  1718   (JSmol)               -74.5      -83.5       28.2   40.6  bis(Pentamethylcyclopentadienyl)stibocenium tetraiodoaluminium (GOMMEA)
  1739   (JSmol)              -459.9     -283.6       31.8   76.8  Trifluoroxenon(IV) hexafluoroantimonate (XeF3SbF6) (ICSD 6034)
  1761   (JSmol)              -476.3     -550.4       33.9   62.0  Cesium EDTA-antimonate(iii) monohydrate (BAWGIP)
  1762   (JSmol)              -450.9     -579.1       35.4   51.5  Cesium hexafluoroantimonate (CsSbF6) (ICSD 201886)
  1815   (JSmol)              -512.4     -903.9       11.4   65.2  BaSbF5
  2278   (JSmol)              -504.4     -471.5       20.4   18.0  Chloro-(18-crown-6)-lead hexachloroantimony (HARBOR)