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 28 Tin-containing Solids predicted using PM7 with X-Ray
(All solids - Periodic Table - Home - PM7 Accuracy - Manual)
Average unsigned error in PM7 HoF: 15.52 kcal/mol, for 8 solids
Average unsigned error in PM6 HoF: 40.87 kcal/mol, for 8 solids
# GUI Heat of formation (Kcal/formula unit) Geometry Species
Ref. PM7 PM6 PM7 PM6
1512 (JSmol) 0.0 -6.8 13.8 67.1 27.2 Tin (cubic) (Sn) (ICSD 76040)
1513 (JSmol) 0.0 -4.5 -94.0 63.1 94.0 Tin (Sn) (ICSD 652713)
1514 (JSmol) -67.1 -75.9 -26.0 53.1 39.2 Tin(ii) oxide (SnO) (ICSD 16481)
1515 (JSmol) -138.1 -107.3 -59.8 3.4 26.3 Cassiterite (SnO2)
1516 (JSmol) -191.7 -149.4 71.9 28.0 Tin(ii) fluoride (SnF2)
1517 (JSmol) -281.9 -277.0 44.5 20.8 Tin(iv) tetrafluoride (SnF4) (ICSD 78894)
1518 (JSmol) -384.4 -356.5 23.9 13.0 (Pentamethyl-cyclopentadienyl)-tin tetrafluoroborate (PMCPSN10)
1519 (JSmol) -304.8 -323.6 24.8 17.1 Diammonium tetrafluoro-dimethyl-tin(iv) (LEVHUP)
1520 (JSmol) -583.4 -581.8 19.0 21.3 bis(3-Carboxyanilinium) hexafluorostannate(iv) (FICWAQ)
1521 (JSmol) -437.6 -481.9 16.0 13.1 catena-(Diammonium (mu-2-methylenediphosphonato)-tin(ii)) (EQUWUI)
1522 (JSmol) -77.7 -63.5 -54.5 33.1 48.3 Tin(ii) chloride (SnCl2)
1523 (JSmol) -532.8 -491.1 12.9 16.6 15-Crown-5 diaqua-tetrachloro-tin(iv) (FANRUH)
1524 (JSmol) -322.2 -261.3 17.0 14.5 bis(Trimethylammonium) hexachloro-tin(iv) (CADNOK)
1525 (JSmol) -441.0 -351.9 24.4 15.2 catena-hexakis(mu-2-Chloro)-(h6-benzene)-dichloro-aluminium-tin benzene solvate (BENZSN10)
1526 (JSmol) -562.8 -617.4 24.8 26.4 Potassium bis(oxalato)-tin(ii) monohydrate (KSNOXL)
1527 (JSmol) -618.8 -776.6 22.8 42.3 Potassium hexafluorostannate (K2SnF6) (ICSD 376982)
1528 (JSmol) -59.8 -42.7 45.7 35.0 Tin selenide (SnSe) (ICSD 52426)
1529 (JSmol) -32.3 -75.3 20.4 45.3 Tin(iv) diselenide (SnSe2) (ICSD 43594)
1530 (JSmol) -58.2 -71.5 -37.4 79.1 42.4 Tin (ii) bromide (SnBr2)
1531 (JSmol) -90.1 -101.1 -98.6 28.4 29.2 Tin(iv) tetrabromide (SnBr4) (ICSD 51570)
1532 (JSmol) -199.0 -230.9 14.8 25.2 bis(Dimethylammonium) hexabromo-tin(iv) (BUJPUR)
1533 (JSmol) -95.8 -51.8 12.4 5.9 Terpyridyl(dimethyl)chlorotin(iv) dimethyl(trichloro)stannate(iv) (SNTPYR10)
1534 (JSmol) -543.9 -519.0 14.6 46.9 bis(mu-2-hydroxo)-diaqua-hexachloro-tin(iv) benzene solvate monohydrate (GIMYEH)
1535 (JSmol) -809.8 -761.8 15.3 9.1 Calcium bis(tris(acetato) tin(ii)) (TACSNC)
1536 (JSmol) -194.1 -143.5 21.9 29.6 catena(bis(Tetraethylammonium) (mu-3-thio)-hexakis(mu-2-thio)-tri-tin(iv)) (GIRHIY)
1537 (JSmol) -371.1 -305.9 11.9 10.5 catena-(bis(Tetramethylammonium) (mu-3-sulfido)-hexakis(mu-2-sulfido)-tri-tin monohydrate) (YAZNOC)
1674 (JSmol) -34.3 -69.0 -81.6 15.5 38.2 Tin(ii) iodide (SnI2)
1727 (JSmol) -173.6 -186.6 14.9 18.8 catena-(bis(4-iodobutylammonium) bis(mu-2-iodo)-di-iodo-tin) (BIVLUO)