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 17 Rhodium-containing Solids predicted using PM7 with X-Ray

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

Average unsigned error in PM7 HoF: 19.54 kcal/mol, for 3 solids
Average unsigned error in PM6 HoF: 243.17 kcal/mol, for 3 solids

     #     GUI   Heat of formation (Kcal/formula unit) Geometry        Species
                    Ref.        PM7        PM6        PM7    PM6 
  1380   (JSmol)     0.0         5.5      -83.6       47.5   47.2  Rhodium (Rh) (ICSD 52064) fcc
  1381   (JSmol)                12.1    -5126.2        0.0   95.6  Rhodium(iii) trifluoride (RhF3) (ICSD 62262)
  1382   (JSmol)               -17.1     -431.4       20.3   66.3  Rhodium(V) pentafluoride (RhF5) (ICSD 10173)
  1383   (JSmol)                -0.1     -136.5       13.9   36.2  Rhodium(vi) hexafluoride (RhF6) (ICSD 1300606)
  1384   (JSmol)              -917.9     -683.8       19.7   20.2  bis(mu-2-Hydroxo)-octa-aqua-di-rhodium(iii) tetrakis(mesitylsulfonate) octahydrate (VIPHAD01)
  1385   (JSmol)              -239.0     -126.3       18.9   30.7  bis(Dimethylglyoximato)diammine-rhodium(iii) bis(dimethylglyoximato) dichloro-rhodium(iii) tetrahydrate (ACGXRH)
  1386   (JSmol)   -71.5       -28.8       74.8       26.0   62.8  Rhodium(iii) trichloride (RhCl3) (ICSD 25764)
  1387   (JSmol)              -335.8     -101.4       29.7   31.7  tris(Guanidinium) hexachloro-rhodium(iii) monohydrate (NAMLES)
  1388   (JSmol)                 6.5      106.7       13.5   55.1  Rhodium(iii) tribromide (RhBr3) (ICSD 28245)
  1389   (JSmol)              -159.7     -132.4       19.3   39.1  tris((+-)-2,3-Butanediamine)-rhodium(iii) tribromide (CIFPOW)
  1390   (JSmol)              -266.3     -655.8       24.0   86.0  bis(1,2-Diammonioethane) hexabromo-rhodium(iii) bromide monohydrate (ZOKHEM)
  1391   (JSmol)   -82.0       -92.5     -581.7       18.4   59.1  Rhodium(iii) oxide (Rh2O3) (ICSD 108941)
  1392   (JSmol)                99.0      -36.4       28.0   74.1  Tetrathiacyclotetradecane-S,S',S'',S''')-rhodium(i) chloride acetonitrile solvate (DAHHEZ)
  1393   (JSmol)              -403.4     -227.9       16.2   66.4  tris(mu-2-Chloro)-bis((h5-pentamethylcyclopentadienyl)-rhodium(iii)) tetrafluoroborate (ASUKOO)
  1394   (JSmol)                57.3       53.9       22.1   90.3  Bromo-methyl-bis(carbonyl-cyclopentadienyl-rhodium) (MLDRHB10)
  1700   (JSmol)                40.6       37.9       39.9   97.3  Rhodium(iii) triiodide (RhI3) (ICSD 541773)
  1715   (JSmol)              -106.4      -55.0       17.5   45.2  Tetra-n-propylammonium dicarbonyl-tetraiodo-rhodium(iii) (PRAIRH)