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 26 Indium-containing Solids predicted using PM7 with X-Ray
(All solids - Periodic Table - Home - PM7 Accuracy - Manual)
Average unsigned error in PM7 HoF: 7.10 kcal/mol, for 5 solids
Average unsigned error in PM6 HoF: 17.21 kcal/mol, for 5 solids
# GUI Heat of formation (Kcal/formula unit) Geometry Species
Ref. PM7 PM6 PM7 PM6
1490 (JSmol) 0.0 -16.8 35.0 36.0 64.4 Indium (In) (ICSD 1711679)
1491 (JSmol) -639.6 -610.0 8.3 14.2 catena-(hexakis(mu-2-Oxalato)-hexa-aqua-tetra-indium tetradecahydrate) (BAPMIP)
1492 (JSmol) -1022.0 -919.3 14.1 17.3 tris(Piperazinediium) bis(tris(pyridine-2,6-dicarboxylato-N,O,O')-indium(iii)) dodecahydrate (KEQGUJ)
1493 (JSmol) -266.7 -223.5 60.8 7.2 Indium trifluoride (InF3) (ICSD 38306)
1494 (JSmol) -457.1 -431.6 18.4 13.6 tris(Guanidinium) hexafluoro-indium(iii) (BUYFUW02)
1495 (JSmol) -616.8 -549.3 15.0 21.6 catena-(Guanidinium bis(mu-2-sulfato-O,O')-diaqua-indium(iii)) (SISPOA)
1496 (JSmol) -27.2 49.7 7.2 5.8 tris(Tetraethylammonium) tris-(1,2-dicyanoethylene-1,2-dithiolato) indate(iii) (EACEIN)
1497 (JSmol) -132.5 -123.0 16.4 14.2 Indium trichloride (InCl3) (ICSD 1300752)
1498 (JSmol) -273.4 -250.0 15.9 14.4 Tetra-n-butylammonium tetrachloro-indium (BEFFOH)
1499 (JSmol) -445.5 -402.2 14.6 15.8 tetrakis(Dimethylammonium) hexachloro-indium(iii) chloride (FUVCAA)
1500 (JSmol) -209.8 -131.9 14.6 20.5 (18-Crown-6)-potassium bis(pyridine)-tetrakis(isothiocyanato)-indium(iii) pyridine solvate (YUXXIY)
1501 (JSmol) -465.5 -467.1 27.4 22.6 (18-Crown-6)-potassium bis(Chloro-(2,3,4,5-tetramethylphospholyl-P)-indium) (JEZDUN)
1502 (JSmol) -1104.8 -1102.1 13.3 47.6 Tri-potassium bis(nitrilotriacetato)-indium(iii) pentahydrate (ZUFXAZ)
1503 (JSmol) -14.0 -13.5 -17.6 7.7 7.1 Indium arsenide (InAs)
1504 (JSmol) -413.7 -408.1 37.0 38.8 Indium hexafluoroarsenate (InAsF6) (ICSD 417952)
1505 (JSmol) -16.9 -31.6 33.5 14.9 Dimethylindium bromide (DMINBR)
1506 (JSmol) -102.5 -102.2 -121.3 11.6 20.3 Indium tribromide (InBr3) (ICSD 65198)
1507 (JSmol) -44.2 -33.5 14.3 15.3 Tribromo-tris(pyridine)-indium(iii) pyridine solvate (BEHWEQ)
1508 (JSmol) -229.8 -221.3 5.6 14.2 Tetra-n-butylammonium tetrabromo-indium (BEFGEY)
1509 (JSmol) -831.6 -746.3 23.9 20.2 catena-(Di-rubidium (mu-10-dihydrogen tetraphosphatodiborate)-di-indium) (MEQXAI)
1510 (JSmol) -221.3 -229.2 -213.6 7.4 4.9 Indium(iii) oxide (In2O3) (ICSD 14388)
1511 (JSmol) -550.5 -328.4 28.6 18.0 catena-(Di-n-propylammonium tris(mu-3-sulfido)-heptakis(mu-2-sulfido)-mercapto-hexa-indium) (JIWQUB)
1642 (JSmol) -42.4 -67.5 24.5 18.5 bis(mu-2-Tellurido)-tetrakis(1,2-diaminoethane-N,N')-di-indium(iii) bis(iodide) (BOKLET)
1701 (JSmol) -56.9 -67.0 -77.9 15.3 48.7 Indium triiodide (InI3) (ICSD 1251069)
1717 (JSmol) -195.3 -170.5 9.7 18.2 Tetra-n-butylammonium tetraiodo-indate(iii) (AHOMIT)
1760 (JSmol) -39.7 -29.0 48.3 52.0 Cesium tetramethylindate (CMEIND)