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)