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 46 Rubidium-containing Solids predicted using PM7 with X-Ray
(All solids - Periodic Table - Home - PM7 Accuracy - Manual)
Average unsigned error in PM7 HoF: 9.50 kcal/mol, for 13 solids
Average unsigned error in PM6 HoF: 25.08 kcal/mol, for 13 solids
# GUI Heat of formation (Kcal/formula unit) Geometry Species
Ref. PM7 PM6 PM7 PM6
1193 (JSmol) 0.0 -11.3 -16.1 31.8 37.7 Rubidium (Rb) (ICSD 650018)
1194 (JSmol) -380.3 -388.5 59.1 56.8 Rubidium fluoride carbonate (Rb3FCO3) (ICSD 66029)
1195 (JSmol) 12.3 14.3 59.3 49.9 Rubidium acetylide (Rb2C2) (ICSD 51529)
1196 (JSmol) -27.0 -39.0 -53.7 34.7 54.5 Rubidium amide (RbNH2) (ICSD 50484)
1197 (JSmol) -100.1 -96.7 -75.3 56.4 59.0 Rubidium deuteriooxide (RbOD) (ICSD 60974)
1198 (JSmol) -92.1 -75.5 49.4 55.4 Rubidium deuteriooxide (RbOD) (ICSD 60976)
1199 (JSmol) -181.6 -148.9 26.7 52.2 Rubidium hydroxide hydrate (RbOH (H2O)) (ICSD 47115)
1200 (JSmol) -232.1 -237.0 -208.5 44.8 51.6 Rubidium metaborate (RbBO2) (ICSD 1005205)
1201 (JSmol) -154.8 -134.6 52.3 58.8 Rubidium oxalate (Rb2C2O4) (ICSD 1003511)
1202 (JSmol) -176.7 -136.4 35.1 48.9 Rubidium formate (RbHCO2) (ICSD 172203)
1203 (JSmol) -118.3 -112.7 -100.9 41.3 63.7 Rubidium nitrate (hexagonal) (RbNO3) (ICSD 1614238)
1204 (JSmol) -316.2 -278.6 22.6 20.8 (Diphenylmethanide)-(18-crown-6)-rubidium (UNIJIK)
1205 (JSmol) -422.8 -394.3 18.0 25.2 (Cyclopentadienyl)-(18-crown-6)-rubidium dimethoxyethane solvate (QEXTIW)
1206 (JSmol) -133.3 -134.1 -152.8 59.0 11.8 RbF
1207 (JSmol) -249.8 -173.2 28.2 29.6 Rubidium dihydrogenphosphate (RbH2PO4) (250131)
1208 (JSmol) -277.0 -276.1 -242.5 21.9 48.9 Rubidium hydrogen sulfate (RbHSO4) (ICSD 36326)
1209 (JSmol) -104.1 -104.7 -117.9 23.6 4.3 RbCl
1210 (JSmol) -135.8 -92.1 18.1 41.2 Rubidium chlorate (RbClO3) (ICSD 36260)
1211 (JSmol) -104.5 -110.0 -79.0 9.6 53.2 Rubidium perchlorate (RbClO4) (ICSD 63363)
1212 (JSmol) -1363.9 -1186.9 20.1 23.1 Rubidium chromium alum (RbCr(III)(SO4)2 12(H2O))
1213 (JSmol) -456.6 -419.3 29.8 18.5 bis((18-Crown-6)-rubidium) bis(mu-2-chloro)-tetrachloro-di-copper (JUMJEG)
1214 (JSmol) -94.3 -107.8 -107.7 29.1 1.3 RbBr
1215 (JSmol) -515.3 -484.7 10.9 20.5 (18-Crown-6)-diaqua-bromo-rubidium(i) (XAJXUD)
1216 (JSmol) -207.6 -207.3 8.5 19.8 Rubidium tribromovanadate(ii) (RbVBr3) (ICSD 201836)
1217 (JSmol) -81.0 -41.8 -25.9 69.0 75.6 Rubidium oxide (Rb2O) (ICSD 77676)
1218 (JSmol) -271.5 -248.9 -228.8 47.5 51.4 Rubidium carbonate (Rb2CO3) (ICSD 414122)
1219 (JSmol) -394.6 -335.9 29.0 52.2 Dirubidium oxalate hydrate (Rb2C2O4 H2O) (ICSD 240494)
1220 (JSmol) -84.6 -72.9 49.7 42.9 Rubidium sulfide (Rb2S) (ICSD 1009010)
1221 (JSmol) -309.4 -280.5 47.6 57.3 Rubidium sulfate (Rb2SO4) (ICSD 203159)
1222 (JSmol) -337.9 -282.9 41.5 61.6 Rubidium chromate (Rb2CrO4) (ICSD 280457)
1223 (JSmol) -477.3 -387.0 50.7 54.6 Rubidium phosphate (Rb3PO4) (ICSD 161677)
1270 (JSmol) -839.0 -1096.2 50.2 57.6 Rubidium yttrium(iii) hexafluoride (Rb3YF6) (ICSD 19077)
1348 (JSmol) -273.1 -1251.3 8.9 79.2 Rubidium hexabromomolybdate(iv) (Rb2MoBr6) (ICSD 545162)
1509 (JSmol) -831.6 -746.3 23.9 20.2 catena-(Di-rubidium (mu-10-dihydrogen tetraphosphatodiborate)-di-indium) (MEQXAI)
1562 (JSmol) -457.5 -626.2 42.8 60.4 Rubidium hexafluoroantimonate (RbSbF6) (ICSD 408071)
1631 (JSmol) -79.8 -83.0 -66.9 6.4 31.0 RbI
1632 (JSmol) -91.0 -83.1 13.2 48.0 Rubidium iodate (RbIO3) (ICSD 2825)
1633 (JSmol) -87.1 -122.0 9.0 54.4 Rubidium iodate hexagonal (RbIO3) (ICSD 1401730)
1634 (JSmol) -397.2 -283.3 19.4 34.1 bis(mu-2-Periodato)-bis(18-crown-6)-di-rubidium (JODBUA)
1694 (JSmol) -42.6 -171.0 42.3 11.5 Rubidium triiodovanadate(ii) (RbVI3) (ICSD 26455)
1983 (JSmol) -770.2 -986.7 23.2 79.7 catena-(Di-rubidium(i) bis(mu-2-fluoro)-(mu-2-oxalato)-bis(aqua-trifluro-hafnium(iv)) dihydrate) (YEWJAL)
2182 (JSmol) -144.5 -206.3 31.6 26.1 (18-Crown-6)-rubidium tetracyano-gold(iii) (DONYUA)
2183 (JSmol) -397.2 -374.7 17.4 29.1 (18-Crown-6)-rubidium tetrachloro-gold(iii) (DONYOU)
2241 (JSmol) -597.5 -585.6 18.0 54.0 bis(15-Crown-5)-rubidium tetrabromo-thallium (HEWNAY)
2242 (JSmol) -528.4 -764.3 55.4 49.5 Rubidium hexafluorothallate(iii) (Rb3TlF6) (ICSD 19075)
2326 (JSmol) -507.8 -646.7 79.3 73.3 Rubidium hexafluorobismuthate (RbBiF6) (ICSD 15121)