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 182 Phosphorus-containing Solids predicted using PM7 with X-Ray
(All solids - Periodic Table - Home - PM7 Accuracy - Manual)
Average unsigned error in PM7 HoF: 22.40 kcal/mol, for 27 solids
Average unsigned error in PM6 HoF: 73.67 kcal/mol, for 27 solids
# GUI Heat of formation (Kcal/formula unit) Geometry Species
Ref. PM7 PM6 PM7 PM6
406 (JSmol) -9.4 -19.3 62.2 27.0 Phosphorus, black (P) (ICSD 36438)
407 (JSmol) 0.0 -3.3 2.5 33.1 24.5 Phosphorus, white (P) (ICSD 406793)
408 (JSmol) -20.9 -27.3 37.8 30.6 Tetramethyldiphosphane (KAKGEI)
409 (JSmol) 2.6 0.0 17.0 18.0 1,8-bis(tris(Dimethylamino)phosphoranylideneamino)naphthalene
410 (JSmol) -61.5 -84.3 13.8 19.0 Tetramethyl-tetra-aza-diphosphabicyclooctane-3,7-dione (BAMWUH)
411 (JSmol) -296.6 -262.4 25.6 34.5 catena-Lithium phosphate (LiPO3) (ICSD 1121553)
412 (JSmol) -307.0 -287.7 -272.7 14.4 34.8 Phosphoric acid (H3PO4)
413 (JSmol) -500.9 -472.3 -412.6 29.7 40.6 Lithiophosphate (Li3PO4)
414 (JSmol) -273.7 -309.7 23.4 21.8 Ammonium dihydrogenphosphate (NH4 H2PO4)
415 (JSmol) -374.5 -354.0 -333.7 21.1 25.6 Ammonium hydrogen phosphate ((NH4)2HPO4) (ICSD 2799)
416 (JSmol) -371.7 -362.5 26.9 35.6 N(Me)4H2PO4 H2O (FIJHEL)
417 (JSmol) -415.7 -398.9 21.4 24.2 DL-2-Amino-4-phosphonobutyric acid monohydrate (CAXDIO01)
418 (JSmol) -766.8 -601.6 39.9 17.2 H5Be2PO7 (ICSD 1710400)
419 (JSmol) -507.5 -493.3 2.4 13.9 Phosphatidylcholine (LYPCHL)
420 (JSmol) -520.5 -474.5 11.0 23.0 Adenosine-3'-phosphate dihydrate (ADPOSD)
421 (JSmol) -379.0 -382.0 6.8 9.6 Phosphorus pentafluoride (PF5)
422 (JSmol) -562.8 -529.8 23.7 21.3 Lithium hexafluorophosphate (LiPF6) (ICSD 74830)
423 (JSmol) -352.8 -344.1 18.8 15.3 tetrakis(Trifluoromethyl)diphosphane (HIRCEQ)
424 (JSmol) -710.4 -702.8 22.8 20.1 (2)-(N,N'-Diethyl-4,4'-bipyridiniumdibenzena-decaoxacyclo-octacosaphane)-rotaxane bis(hexafluorophosphate) acetone solvate (GITXOX)
425 (JSmol) -735.6 -718.7 17.2 17.7 (2)-(bis(1,5-naphtho)-38-crown-10)-(N,N'-bis-(3-carboxypropyl)-4,4'-bipyridinium)-pseudorotaxane bis(hexafluorophosphate) (LEZZAS)
426 (JSmol) -308.8 -330.3 35.4 30.7 Sodium phosphate (NaPO3) (ICSD 34693)
427 (JSmol) -353.1 -375.7 21.6 56.0 Sodium tetrametaphosphate (NaH2PO4)
428 (JSmol) -453.4 -481.3 51.5 34.3 Lithium disodium phosphate (LiNa2PO4) (ICSD 69967)
429 (JSmol) -640.4 -588.4 10.2 26.3 Stercorite (Na(NH4)HPO4 4(H2O))
430 (JSmol) -550.8 -592.4 51.2 6.1 Sodium hexafluorophosphate (NaPF6) (ICSD 1408764)
431 (JSmol) -417.8 -405.6 -437.7 7.4 40.1 Sodium hydrogen phosphate (Na2HPO4) (ICSD 81304)
432 (JSmol) -417.8 -415.0 -437.2 33.6 44.0 Sodium Hydrogen Phosphate (Na2HPO4)
433 (JSmol) -536.5 -516.7 36.9 55.0 Dorfmanite (Na2HPO4 2(H2O))
434 (JSmol) -834.2 -812.0 8.4 76.7 Disodium hydrogen orthophosphate heptahydrate (H15Na2O11P)
435 (JSmol) -482.0 -500.8 16.0 45.4 Sodium phosphate (Na3PO4) (ICSD 33718)
436 (JSmol) -584.3 -528.5 12.5 15.3 Newberyite (MgHPO4 3(H2O))
437 (JSmol) -588.0 -483.6 24.5 11.9 Wagnerite (Mg2PO4F)
438 (JSmol) -39.8 -75.1 -26.4 15.5 4.4 Aluminum phosphide (AlP)
439 (JSmol) -414.4 -392.4 -502.4 14.2 71.0 Berlinite (AlPO4)
440 (JSmol) -414.4 -380.2 -398.7 8.3 26.6 Sodalite (AlPO4)
441 (JSmol) -526.1 -547.4 19.2 33.3 Variscite (AlPO4(H2O)2)
442 (JSmol) -592.7 -524.8 17.7 34.0 Magnesium aluminum phosphate oxide (beta'') (MgAlPO4 O) (ICSD 1102532)
443 (JSmol) -359.7 -391.5 -391.9 47.3 45.7 Phosphorus(v) pentoxide (P2O5) (ICSD 82688)
444 (JSmol) -636.0 -502.2 59.2 18.3 Beryllium catena-phosphate (BeP2O6) (ICSD 100404)
445 (JSmol) -650.3 -603.3 13.3 24.8 Phosphoric acid hemihydrate ((H3PO4)2 H2O) (ICSD 2096)
446 (JSmol) -913.9 -856.4 6.5 10.1 tris(Hydroxymethyl)-methylammonium adenosine-5'-diphosphate dihydrate (HMADPH)
447 (JSmol) -1019.7 -947.8 14.9 17.0 Nicotinamide adenine dinucleotide tetrahydrate (CEVYEH11)
448 (JSmol) -798.7 -857.8 37.5 69.4 Sodium phosphate (Na4P2O7) (ICSD 10370)
449 (JSmol) -803.2 -701.0 27.4 40.3 Magnesium hypophosphite hydrate (Mg(H2PO2)2 6(H2O))
450 (JSmol) -1015.4 -860.0 19.9 22.4 tetrakis(Urea) bis(dihydrogen phosphate) magnesium (BORTAD)
451 (JSmol) -827.6 -857.0 16.4 29.8 catena-(Tri-sodium (mu-2-fluoro)-(methylenediphosphonate)-magnesium monohydrate) (DEKSIV)
452 (JSmol) -895.1 -867.8 -683.8 27.2 14.9 Farringtonite (Mg3(PO4)2)
453 (JSmol) -1388.8 -1232.4 18.3 15.1 Bobierrite Mg3(PO4)2(H2O)8
454 (JSmol) -2406.4 -2174.7 27.9 29.8 Magnesium phosphate hydrate (Mg3(PO4)2 22(H2O))
455 (JSmol) -1771.6 -1419.6 16.4 12.8 Raadeite (Mg7(PO4)2(OH)8)
456 (JSmol) -1215.4 -1311.4 28.0 12.0 Brazilianite (NaAl3(PO4)2(OH)4)
457 (JSmol) -27.6 -41.2 21.8 18.0 4-Methyl-triphosphatricycloheptane (FATYUU)
458 (JSmol) -484.0 -538.7 20.1 19.6 (1-(tris(dimethylamino)phosphoranylideneammonium)-8-(tris(dimethylamino)phosphoranylideneamino)naphthalene) hexafluorophosphate (SAXLAF)
459 (JSmol) -806.6 -1131.3 34.0 63.5 Sodium trimetaphosphate (Na2HP3O9)
460 (JSmol) -1096.6 -1146.0 15.4 28.4 Disodium adenosine-triphosphate trihydrate (ADENTP)
461 (JSmol) -50.7 -67.6 35.1 24.8 Tetraphosphabicyclooctane (XEYZEG)
462 (JSmol) -461.7 -395.0 11.2 24.8 Phosphorus(iii) trioxide (P4O6) (ICSD 24407)
463 (JSmol) -719.4 -690.9 -665.9 18.4 11.4 Phosphorus(v) pentoxide (P4O10) (ICSD 40865)
464 (JSmol) -1448.7 -1358.6 18.1 28.9 Tetralithium Tetrametaphosphate Pentahydrate (Li4P4O12 5(H2O))
465 (JSmol) -1965.9 -1557.0 49.6 21.4 catena-(Hexane-1,6-diammonium bis(mu-4-phosphato)-bis(mu-3-hydrogen phosphato)-bis(hydroxy)-tetra-beryllium monohydrate) (ACOKUZ)
466 (JSmol) -1365.2 -1683.0 41.0 81.4 NaPO3 H2O
467 (JSmol) -1345.5 -1542.2 27.4 78.9 Sodium cyclooctaphosphate hexahydrate (Na8P8O24 6(H2O))
468 (JSmol) -159.6 -51.6 21.5 36.0 bis(2,6-bis((Dimethylphosphino)methyl)phenyl)-magnesium benzene solvate (YESVIB)
469 (JSmol) -1777.4 -1649.2 32.0 32.0 Mg5Na2P4O16
470 (JSmol) -1750.5 -1563.4 32.8 27.4 Hexa(lithium phosphate) (Li6(P6O18)) (ICSD 1414858)
471 (JSmol) -1743.9 -1563.5 28.7 28.9 Lithium cyclohexaphosphate (Li6(P6O18))
509 (JSmol) -37.8 -62.8 9.8 9.7 Tetramethyl diphosphine disulfide (TMDPDS)
510 (JSmol) -464.5 -437.1 15.1 24.7 4-Fluoro-2-(phosphonomethyl)benzenesulfonic acid monohydrate (KIXQIR)
524 (JSmol) -37.0 -44.4 -109.4 27.5 18.6 Phosphorus sulfide (P4S3) (ICSD 417154)
525 (JSmol) -64.5 -109.2 40.3 17.0 Trithia-tetraphosphatricycloheptane (ZEGSUZ01)
566 (JSmol) -173.0 -167.2 29.1 27.9 Tetramethylphosphonium chloride monohydrate (MIYHEH)
587 (JSmol) -96.1 -75.6 29.1 26.2 Phosphorus trichloride (PCl3)
589 (JSmol) -106.0 -110.0 -89.1 32.3 21.9 Phosphorus pentachloride (PCl5)
590 (JSmol) -247.2 -184.8 37.2 15.4 2,4,4,6,6-Pentachloro-2-(piperidyl)cyclotriphosphazene (POTKEO)
621 (JSmol) -294.3 -304.2 27.2 12.3 Potassium cyclo-hexaphosphate (KPO3)
622 (JSmol) -342.5 -344.9 13.6 29.4 KPO3 2(H2O)
623 (JSmol) -374.8 -347.3 -338.1 22.5 21.9 Potassium dihydrogenphosphate (KH2PO4) (ICSD 87895)
624 (JSmol) -575.6 -640.2 28.0 29.4 Potassium hexafluorophosphate (KPF6) (ICSD 1616491)
625 (JSmol) -777.8 -735.4 6.1 24.4 Potassium adenosine-5'-diphosphate dihydrate (KADPHD02)
626 (JSmol) -907.0 -977.4 50.3 22.4 Disodium potassium cyclo-triphosphate (Na2KP3O9) (ICSD 2346)
627 (JSmol) -885.7 -963.0 50.5 30.5 Sodium potassium trimetaphosphate (Na2KP3O9)
650 (JSmol) -466.1 -447.6 -517.3 9.6 22.0 Potassium phosphate (K3PO4) (ICSD 158801)
652 (JSmol) -1367.2 -1379.4 13.7 30.8 Tetrapotassium tetrametaphosphate tetrahydrate (K4H8P4O16)
680 (JSmol) -652.4 -535.4 21.5 12.3 Herderite (CaBe(PO4)F(OH))
681 (JSmol) -652.2 -535.4 21.6 13.8 Hydroxylherderite (CaBe(PO4)(OH))
682 (JSmol) -723.9 -654.9 20.9 22.3 Calcium bis(dihydrogenphospate) (CaH4P2O8)
686 (JSmol) -1408.6 -1250.5 19.9 18.8 Woodhouseite CaAl3(PO4)(SO4)(OH)6
701 (JSmol) -787.0 -721.0 19.5 16.9 Calcium phosphate (Ca2P2O7) (ICSD 22225)
709 (JSmol) -987.6 -969.3 -836.8 21.6 3.5 Tricalcium bisphosphate (Ca3(PO4)2) (ICSD 200202)
710 (JSmol) -2007.7 -1798.5 22.7 7.5 Calcium phosphate (Ca4P6O19)
713 (JSmol) -1584.6 -1421.5 12.1 12.8 Hydroxylapatite (Ca5(PO4)3(OH))
714 (JSmol) -1610.1 -1422.6 15.0 7.3 Fluorapatite (Ca5(PO4)3F)
715 (JSmol) -1607.3 -1402.7 14.0 10.6 Chlorapatite (Ca5(PO4)3Cl)
721 (JSmol) -563.9 -429.6 25.6 40.7 catena-((mu-3-Methylphosphonato)-(mu-2-fluoro)-aqua-scandium) (UDEHOB)
774 (JSmol) -360.9 -263.3 22.7 13.4 bis(mu-2-Chloro)-bis(dichloro-bis(trimethylphosphine)-vanadium(iv)) (LEMCIP)
775 (JSmol) -560.3 -477.8 30.0 18.2 Potassium oxovanadium (iv) phosphate(v) (KVPO5) (ICSD 411492)
836 (JSmol) -70.4 -88.5 12.2 8.5 Methyltriphenylphosphonium permanganate (MEPHMN01)
837 (JSmol) -989.9 -732.4 40.4 12.9 Manganese(ii) tetraphosphate (MnP4O11) (ICSD 4282)
848 (JSmol) -744.9 -749.9 -364.8 42.7 21.5 Manganese phosphate (Mn3(PO4)2) (ICSD 1322074)
863 (JSmol) -352.2 -512.5 60.1 65.1 Fe(iii)PO4
900 (JSmol) -204.8 -33.1 14.6 94.7 bis((Cyclopentadienyl)-(dimethylphosphido)-cobalt) (DAFZAL)
901 (JSmol) -493.6 -450.8 11.3 43.6 Decamethyl-cobaltocenium hexafluorophosphate (DIMJIS01)
905 (JSmol) -274.6 -143.4 55.6 87.3 Dichloro-nitrosyl-bis(trimethylphosphine)-cobalt (FALTER)
906 (JSmol) -427.7 -175.5 12.4 59.0 Chloro-tris(trimethylphosphine)-cobalt(i) (BUTDEZ)
932 (JSmol) -689.4 -769.4 16.4 20.3 Nitrosyl-tris(trimethylphosphine)-nickel(0) hexafluorophosphate (FINJAN)
968 (JSmol) -2402.2 -2481.9 45.5 68.2 Turquoise (CuAl6(PO4)4(OH)8 5(H2O))
1019 (JSmol) -448.7 -402.8 20.9 8.5 Tarbuttite (Zn2(PO4)(OH))
1020 (JSmol) -1521.9 -1446.4 18.0 21.6 Zinc cyclooctaphosphate hydrate (Zn2P4O12 9(H2O))
1027 (JSmol) -723.4 -1017.7 12.5 42.7 catena-(1,3-Propanediammonium (mu-2-fluoro)-bis(mu-2-hydrogen phosphato)-gallium) (EDEPOS)
1032 (JSmol) -852.9 -1794.6 17.1 75.5 catena-((mu-6-Ethylenediphosphonato)-trans-bis(mu-2-fluoro)-diaqua-di-gallium monohydrate) (XUWVEQ)
1113 (JSmol) -30.5 -53.5 -25.5 16.5 24.9 Phosphonium bromide (PH4Br) (ICSD 031149)
1114 (JSmol) -30.5 -51.6 -25.5 15.8 23.7 Phosphonium bromide (PH4Br) (ICSD 1622038)
1163 (JSmol) -109.6 -125.9 -115.4 13.9 25.7 Phosphoric tribromide (POBr3) (ICSD 1100034)
1182 (JSmol) -64.5 -86.0 -117.5 30.9 24.4 Phosphorus(v) pentabromide (PBr5) (ICSD 22140)
1207 (JSmol) -249.8 -173.2 28.2 29.6 Rubidium dihydrogenphosphate (RbH2PO4) (250131)
1223 (JSmol) -477.3 -387.0 50.7 54.6 Rubidium phosphate (Rb3PO4) (ICSD 161677)
1236 (JSmol) -1414.8 -1708.2 27.0 53.5 catena-((Ethylenediammonium) tetra-aqua-octaoxo-tetraoxa-tetraphosphacyclo-octane-strontium monohydrate) (VABFEJ)
1250 (JSmol) -796.1 -1240.4 39.5 66.2 Strontium phosphate (Sr2P2O7) (ICSD 31004)
1251 (JSmol) -990.3 -1434.0 30.4 62.0 Strontium phosphate (Sr3(PO4)2) (ICSD 410784)
1252 (JSmol) -1592.7 -2259.3 31.3 64.2 Strontium chlorapatite (Sr5(PO4)3Cl) (ICSD 1404651)
1260 (JSmol) -408.5 -451.6 29.7 53.2 Xenotime (YPO4)
1269 (JSmol) -866.7 -927.7 22.0 22.7 hexakis(Trimethylphosphine oxide)-yttrium(iii) tribromide (MINPUU)
1301 (JSmol) -577.9 -406.5 19.6 23.0 tetrakis(1,3,4,6,7,8-hexahydro-2H-pyrimido(1,2-a)pyrimidin-1-yl)-niobium(v) hexafluorophosphate (POFHUO)
1302 (JSmol) -883.1 -828.0 19.1 21.5 catena-(bis(Ethane-1,2-diammonium) bis(mu-2-phosphato)-fluoro-oxo-niobium) (HEYBOD)
1303 (JSmol) -832.9 -802.9 26.6 21.0 bis(h5-Cyclopentadienyl)-(2,2'-bipyridyl-N,N')-niobium bis(hexafluorophosphate) (VOSXUW)
1329 (JSmol) -413.8 -464.0 21.5 24.2 bis(p-Cyclopentadienyl)hydroxy-methylamino molybdenum(iv) hexafluorophosphate (CHAMOF)
1333 (JSmol) -567.2 -520.4 49.4 45.6 Chloro-dinitroso-(1-thia-4,7-diazacyclononane-N,N',S)-molybdenum hexafluorophosphate (SAVNOS)
1355 (JSmol) -749.2 -729.9 11.8 11.2 tris(2,2-Bipyridyl)-technetium(ii) bis(hexafluorophosphate) (SUDZOG)
1357 (JSmol) -448.6 -521.4 31.8 38.7 trans-Dichloro-tetrakis(trimethylphosphine)-technetium(iii) hexafluorophosphate (QESMOQ)
1368 (JSmol) -767.1 -763.9 19.5 17.7 tris(2,2'-Bipyridine)-ruthenium(ii) bis(hexafluorophosphate) (BPYRUF10)
1369 (JSmol) -668.3 -34.8 33.6 79.0 cis-Difluoro-bis(1,2-bis(dimethylphosphino)ethane)-ruthenium hydrofluoride (QIWPUH)
1371 (JSmol) -896.1 -1014.2 28.9 30.1 (Dibenzo-18-crown-S6)-ruthenium bis(hexafluorophosphate) nitromethane solvate (SIJVAI)
1442 (JSmol) -404.4 -873.7 76.3 85.7 (Hexafluoroacetylacetonato)-bis(trimethylphosphine)-silver (LEFWIC)
1466 (JSmol) -691.5 -1704.3 63.4 87.1 (Hexafluoroacetylacetonato)-trimethylphosphine-silver (LEFWEY)
1501 (JSmol) -465.5 -467.1 27.4 22.6 (18-Crown-6)-potassium bis(Chloro-(2,3,4,5-tetramethylphospholyl-P)-indium) (JEZDUN)
1509 (JSmol) -831.6 -746.3 23.9 20.2 catena-(Di-rubidium (mu-10-dihydrogen tetraphosphatodiborate)-di-indium) (MEQXAI)
1521 (JSmol) -437.6 -481.9 16.0 13.1 catena-(Diammonium (mu-2-methylenediphosphonato)-tin(ii)) (EQUWUI)
1546 (JSmol) -406.2 -481.9 44.0 23.8 catena-(Butane-1,4-diammonium (mu-2-1-hydroxyethyldiphosphonato)-antimony(iii)) (AHEKED)
1599 (JSmol) -495.6 -497.5 13.0 11.3 catena(Tetraethoxyphosphonium nonachloro-di-tellurium(iv)) (JOJNIF)
1605 (JSmol) -1419.2 -1943.2 12.0 29.4 Tellurium phosphate (Te8O10(PO4)4) (ICSD 100151)
1616 (JSmol) -16.7 -46.8 -58.8 12.7 36.9 Phosphonium iodide (PH4I)
1617 (JSmol) 0.4 -28.8 24.8 16.9 1,2-bis(Iodo)-1,2-diphospha-acenaphthene (GUTJOU)
1618 (JSmol) -53.2 -87.2 17.8 22.9 2-Iodo-1,3-di-t-butyl-1,3,2-diazaphospholene (CORGAS)
1619 (JSmol) -86.6 -133.8 20.6 20.6 4-Iodo-tetramethyl-tetra-aza-phosphaspiroheptane-2,6-dione (SAKMUM)
1659 (JSmol) -362.2 -94.8 10.8 83.1 Di-iodo-nitrosyl-bis(trimethylphosphine)-cobalt (FALTAN)
1682 (JSmol) -10.9 -28.2 -118.4 9.5 45.6 Phosphorus(iii) triiodide (PI3) (ICSD 311)
1683 (JSmol) -25.8 -177.4 41.9 41.5 1,3-di-t-butyl-2,4,5-triiodo-2,4,5-triphosphabicyclopentane iodine (BOCROB)
1706 (JSmol) -17.7 -136.9 20.6 33.3 Methyltri-iodophosphonium iodide (HEDGIG)
1708 (JSmol) -173.9 -276.4 19.4 24.4 Tri-isopropyl-iodo-phosphonium iodide dichloromethane solvate (DOQVEK)
1724 (JSmol) -563.4 104.6 8.9 9.7 trans-mer-Aqua-di-iodo-tris(1,3,5-triaza-1-methyl-7-phosphatricyclodecane-P)-ruthenium tri-iodide dihydrate (BAQFOP01)
1749 (JSmol) -345.0 -445.4 10.3 54.1 Cesium dihydrogen phosphate (CsH2PO4) (ICSD 79608)
1750 (JSmol) -546.7 -669.6 39.6 61.2 Cesium hexafluorophosphate (CsPF6) (ICSD 1703996)
1773 (JSmol) -474.4 -680.9 33.4 30.7 Cesium phosphate (Cs3PO4) (ICSD 161678)
1791 (JSmol) -616.7 -962.5 26.7 54.2 BaP2O6
1822 (JSmol) -941.9 -1552.5 31.7 67.6 Dibarium Magnesium Phosphate (Ba2MgP2O8)
1825 (JSmol) -1594.3 -2846.6 8.9 60.1 Alforsite (Ba5(PO4)3Cl)
1835 (JSmol) -471.2 -1103.0 15.4 92.0 Lanthanum phosphate (LaPO4) (ICSD 79747)
1836 (JSmol) -1355.2 -1473.0 18.6 35.3 Catena benzoic acid phosphate water lanthanum(iii) complex (DEJVAQ)
1946 (JSmol) -61.0 -406.0 32.7 41.1 bis(h5-Pentamethyl-cyclopentadienyl)-lutetium-dimethylphosphonio-bis(methanide) (CIXTUY)
1947 (JSmol) -448.7 -1668.1 45.0 99.9 Lutetium phosphate (LuPO4) (ICSD 79761)
1948 (JSmol) -1041.8 -1260.5 21.5 34.2 (mu-2-1,4,7,10-Tetra-azacyclododecane-1,4,7-triacetato-10-methyl hydrogen phosphonato)-triaqua-lithium-lutetium(iii) dihydrate (LARLAS)
1984 (JSmol) -328.3 -395.9 23.4 41.2 Dichloro-(bis(h4-tetramethylcyclopentadienyl)dimethylphosphonium)-hafnium iodide (ICEHED)
2026 (JSmol) -620.6 -613.2 13.4 22.4 Dichloro-oxo-(N,N',N''-trimethyl-1,4,7-triazacyclononane-N,N',N'')-tungsten(v) hexafluorophosphate (DIBVEP)
2045 (JSmol) -871.1 -964.1 43.2 23.2 (mu-2-Oxo)-tetrakis(h5-cyclopentadienyl)-dimethyl-di-tungsten bis(hexafluorophosphate) (ZISMAP)
2049 (JSmol) -3309.8 -2567.6 3.6 24.5 Keggin Dodecatungstophosphoric acid hexahydrate ((H5 O2)3 P W12 O40)
2053 (JSmol) -1318.9 -1351.1 22.7 22.5 tetrakis(Tetramethylthiourea)-oxo-rhenium(v) tris(hexafluorophosphate) (FIQLEW)
2075 (JSmol) -373.4 -397.9 16.7 16.5 Chloro-osmocenium hexafluorophosphate (WEHLEA)
2092 (JSmol) 30.0 9.5 14.9 15.1 bis(Triphenylphosphonium) hexabromo-osmium(iv) (GEBMAB)
2093 (JSmol) -318.2 -332.8 11.6 14.8 Dicarbonyl-iodo-methyl-bis(trimethylphosphine)-osmium (SUJVOI)
2099 (JSmol) 67.2 27.5 21.1 25.5 Tetraphenylphosphonium acetylacetonato-tetra-iodo-osmium(iv) (NAPLEV)
2126 (JSmol) -224.5 -602.3 56.8 81.5 tris(mu-2-Iodo)-bis(h5-pentamethylcyclopentadienyl)-di-iridium hexafluorophosphate (GUSJEJ)
2133 (JSmol) -478.3 -441.0 21.9 32.8 (2,2'-Bipyrimidine)-chloro-(dimethyl sulfoxide)-platinum(ii) hexafluorophosphate (USOWIJ)
2161 (JSmol) -362.8 -383.2 25.4 26.2 bis(Methyl isocyanide)-gold(i) hexafluorophosphate (LUVJIV)
2165 (JSmol) -174.5 -232.5 14.3 17.9 bis(mu-2-bis(Dimethylphosphino)methane-P,P')-di-gold(i) dichloride dihydrate (DUKREG01)
2179 (JSmol) -72.9 -68.6 39.5 19.0 Tribromo-(trimethylphosphine) gold (BRMPAU)
2186 (JSmol) -12.4 -60.0 24.9 32.6 Triiodo-trimethylphosphine-gold(iii) (ABANOH)
2191 (JSmol) 30.4 -31.8 24.4 28.1 bis(mu-2-(Dimethyldimethylene-phosphoranyl-C,C))-iodomethyl-di-gold(ii) (BIBPIL)
2251 (JSmol) -299.6 -623.3 46.3 67.5 Trithallium(i) phosphate (Tl3PO4)
2292 (JSmol) -620.3 -605.2 -1017.8 23.8 55.1 Lead phosphate (Pb3(PO4)2) (ICSD 14247)
2294 (JSmol) -994.1 -1570.2 17.9 59.7 Pyromorphite (Pb5(PO4)3(OH))
2295 (JSmol) -1037.3 -1663.4 30.6 44.8 Pyromorphite (Pb5(PO4)3(F))
2296 (JSmol) -973.7 -1520.9 24.9 49.1 Pyromorphite (Pb5(PO4)3(Cl))