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 315 Fluorine-containing Solids predicted using PM7 with X-Ray
(All solids - Periodic Table - Home - PM7 Accuracy - Manual)
Average unsigned error in PM7 HoF: 21.33 kcal/mol, for 54 solids
Average unsigned error in PM6 HoF: 107.35 kcal/mol, for 54 solids
# GUI Heat of formation (Kcal/formula unit) Geometry Species
Ref. PM7 PM6 PM7 PM6
278 (JSmol) -64.2 -65.1 47.3 44.3 Hydrogen fluoride (HF) (ICSD 1940)
279 (JSmol) -147.2 -167.1 -138.2 44.8 1.5 LiF
280 (JSmol) -110.9 -72.4 -76.3 38.9 59.9 Ammonium fluoride (NH4F)
281 (JSmol) -136.6 -123.2 18.6 14.4 p-Fluorobenzoic acid (PFBZAD01)
282 (JSmol) 0.0 -17.5 0.3 22.8 62.8 Fluorine (F2) (ICSD 16262) orthorhombic
283 (JSmol) -17.6 0.3 4.8 57.9 Fluorine (F2) (ICSD 22271)
284 (JSmol) -245.4 -239.0 -216.9 36.6 8.2 Beryllium difluoride (BeF2)
285 (JSmol) -277.8 -270.9 6.2 31.9 Boron trifluoride (BF3) (ICSD 20904)
286 (JSmol) -323.6 -318.8 -314.9 30.9 28.9 Ammonia - boron trifluoride (NH3BF3) (ICSD 94885)
287 (JSmol) -167.3 -149.9 13.0 20.7 (S)-2,2,2-Trifluoro-1-(9-anthryl)ethanol (SOCLIF)
288 (JSmol) -543.4 -561.7 -658.3 35.0 33.4 Lithium tetrafluoroberyllate (Li2BeF4) (ICSD 37163)
289 (JSmol) -415.8 -384.1 20.4 22.1 Ethylenediammonium orthofluoroberyllate (KIPPEE)
290 (JSmol) -162.9 0.0 14.3 21.3 4,4'-Bis(perfluorostyryl)stilbene (QERWUF)
291 (JSmol) -250.8 -238.4 4.4 24.0 Hexafluorobenzene (HFBENZ02)
292 (JSmol) -239.6 -217.9 22.2 23.9 N,N-Dimethylaniline hexafluorobenzene (DMAFBZ01)
293 (JSmol) -727.3 -648.0 28.2 28.7 tris(Guanidinium) pyrofluoroberyllate (SEYHOT)
307 (JSmol) -137.8 -134.9 -123.2 2.1 10.4 NaF
308 (JSmol) -220.0 -182.6 5.7 51.8 Sodium hydrogen fluoride (NaHF2) (ICSD 415006)
309 (JSmol) -440.9 -454.5 -472.4 28.7 19.3 Sodium tetrafluoroborate (NaBF4) (ICSD 36067)
330 (JSmol) -268.7 -254.8 -234.9 47.5 1.0 Sellaite (MgF2)
331 (JSmol) -1263.5 -1234.1 14.4 22.4 tris(Hexafluoroacetylacetonato) magnesium 1-dimethylammonium-8-dimethylamino-naphthalene (NAFAMG10)
332 (JSmol) -338.4 -401.5 11.8 30.3 Neighborite (NaMgF3)
345 (JSmol) -361.0 -353.1 -413.0 33.8 71.2 Aluminum trifluoride (AlF3)
346 (JSmol) -808.7 -834.0 -798.8 10.9 23.1 Lithium hexafluoroaluminate (Li3AlF6) (ICSD 34672)
349 (JSmol) -792.8 -787.8 -871.0 9.8 20.1 Cryolite (Na3AlF6)
354 (JSmol) -1812.0 -1803.2 -2004.7 4.7 8.3 Chiolite (Na5Al3F14) (ICSD 26419)
369 (JSmol) -935.1 -897.2 13.4 18.3 18-Crown-6 trans-tetrafluoro-diaqua-silicon dihydrate (YORRIG01)
370 (JSmol) -640.9 -614.0 -614.3 36.9 29.9 Ammonium hexafluorosilicate (2(NH4)SiF6) (ICSD 1120016)
373 (JSmol) -695.4 -680.4 -767.1 13.8 19.4 Sodium hexafluorosilicate (Na2SiF6) (ICSD 16598)
381 (JSmol) -729.3 -845.8 11.7 43.6 Topaz (Al2SiO4F2)
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)
430 (JSmol) -550.8 -592.4 51.2 6.1 Sodium hexafluorophosphate (NaPF6) (ICSD 1408764)
437 (JSmol) -588.0 -483.6 24.5 11.9 Wagnerite (Mg2PO4F)
451 (JSmol) -827.6 -857.0 16.4 29.8 catena-(Tri-sodium (mu-2-fluoro)-(methylenediphosphonate)-magnesium monohydrate) (DEKSIV)
458 (JSmol) -484.0 -538.7 20.1 19.6 (1-(tris(dimethylamino)phosphoranylideneammonium)-8-(tris(dimethylamino)phosphoranylideneamino)naphthalene) hexafluorophosphate (SAXLAF)
500 (JSmol) -298.0 -303.3 9.6 29.0 Sulfur hexafluoride (SF6) (ICSD 63332)
507 (JSmol) -1303.9 -1176.7 24.8 21.0 Sulfoborite (Mg3SO4(B(OH)4)2(OH)F)
510 (JSmol) -464.5 -437.1 15.1 24.7 4-Fluoro-2-(phosphonomethyl)benzenesulfonic acid monohydrate (KIXQIR)
615 (JSmol) -135.6 -142.6 -185.7 1.0 28.5 KF
616 (JSmol) -221.0 -185.0 -224.4 2.6 22.1 Potassium hydrogen fluoride (KHF2) (ICSD 18094)
624 (JSmol) -575.6 -640.2 28.0 29.4 Potassium hexafluorophosphate (KPF6) (ICSD 1616491)
644 (JSmol) -706.5 -722.9 -840.9 1.6 22.7 Potassium hexafluorosilicate (K2SiF6) (ICSD 73722)
649 (JSmol) -795.0 -1055.6 12.6 29.0 Potassium hexafluoroaluminate (K3AlF6) (ICSD 381848)
669 (JSmol) -293.5 -263.6 -208.1 28.0 1.5 Fluorite (CaF2)
700 (JSmol) -2919.3 -2742.1 10.0 20.0 Fluor-tremolite (Ca2Mg5Si8O22F2)
711 (JSmol) -3025.5 -2811.3 7.1 25.2 Apophyllite ((CaO)4 (SiO2)8 (H2O)8 KF)
712 (JSmol) -3026.1 -2810.9 16.9 32.1 Fluorapophyllite (KCa4Si8O20 8(H2O)
714 (JSmol) -1610.1 -1422.6 15.0 7.3 Fluorapatite (Ca5(PO4)3F)
719 (JSmol) -347.5 -405.1 40.8 12.2 Scandium(iii) trifluoride (ScF3)
720 (JSmol) -565.9 -558.8 22.3 12.8 tris(Guanidinium) hexafluoro-scandium(iii) (HEYRUZ)
721 (JSmol) -563.9 -429.6 25.6 40.7 catena-((mu-3-Methylphosphonato)-(mu-2-fluoro)-aqua-scandium) (UDEHOB)
722 (JSmol) -1681.7 -1524.3 13.0 20.2 Nona-aqua-scandium(iii) tris(trifluoromethanesulfonate) (NINMIG)
736 (JSmol) -343.0 -432.1 19.4 64.6 Titanium(iii) fluoride (TiF3)
737 (JSmol) -394.2 -401.9 -482.2 30.9 69.7 Titanium(iv) fluoride (TiF4)
738 (JSmol) -559.1 -534.1 28.9 36.9 bis(Guanidinium) hexafluoro-titanium (KOYXOL)
761 (JSmol) -160.9 -118.4 57.4 27.4 Vanadium(ii) difluoride (VF2)
762 (JSmol) -184.4 -171.2 29.0 27.6 catena-((mu-2-4,4'-Bipyridine)-(mu-2-fluoro)-difluoro-vanadium(iii)) (UDISIK)
763 (JSmol) -335.4 -333.5 -289.0 64.6 17.6 Vanadium (iv) tetrafluoride (VF4) (ICSD 65785)
764 (JSmol) -423.3 -370.8 67.2 18.6 Vanadium(V) pentafluoride (VF5)
765 (JSmol) -479.8 -449.8 16.0 29.6 Ethylenediammonium pentafluoro-oxo-vanadium (ENDFVO)
766 (JSmol) -672.8 -793.6 15.6 77.3 Sodium hexafluorovanadate(iii) (Na3VF6) (ICSD 27347)
767 (JSmol) -975.3 -949.5 15.9 14.2 bis(Trifluoromethanesulfonate) hexa-aqua-vanadium(ii) (VEPSUE)
788 (JSmol) -209.0 -221.9 17.5 39.0 Pyridinium fluorochromate (NONYUK)
789 (JSmol) -185.9 -214.2 -141.9 65.3 38.5 Chromium(ii) difluoride (CrF2) (ICSD 31827)
790 (JSmol) -277.0 -273.0 -268.5 74.3 12.1 Chromium(iii) trifluoride (CrF3)
791 (JSmol) -218.2 -291.8 18.8 35.6 Guanidinium trans-tetrafluoro-bis(pyridine-N)-chromium(iii) (PUXPUT)
792 (JSmol) 197.6 272.7 16.2 14.8 hexakis(6-Isocyanoazulene-C)-chromium tetrafluoroborate (GUZCOT)
793 (JSmol) -400.2 -381.6 32.8 40.5 o-Phenylene-di-ammonium aqua-pentafluoro-chromium(iii) (YASHOP)
794 (JSmol) -513.8 -608.3 21.5 17.8 Lithium hexafluorochromium(iv) (Li2CrF6)
801 (JSmol) -250.7 -246.5 14.9 15.4 trans-Difluoro-bis(ethylenediamine)-chromium(iii) chloride (BAVGUA10)
802 (JSmol) -410.1 -384.3 16.7 18.9 Ethylenediammonium ethylenediamine-tetrafluoro-chromium(iii) chloride (DIYFEW)
833 (JSmol) -207.0 -68.9 52.9 58.7 Manganese(ii) difluoride (MnF2)
834 (JSmol) -538.5 -312.9 28.4 48.7 Tetramethylammonium diaqua-tetrafluoro-manganese(iii) (TMAFMN)
857 (JSmol) -170.0 -132.1 -418.8 42.0 70.5 Iron(ii) difluoride (FeF2) (ICSD 65702)
858 (JSmol) -215.3 -396.8 57.9 42.3 Iron(iii) trifluoride (FeF3)
859 (JSmol) -405.2 -409.9 22.2 23.1 tris(Guanidinium) hexafluoro-iron(iii) (FULHOJ)
897 (JSmol) -165.4 -1807.9 29.2 97.9 Cobalt(ii) difluoride (CoF2) (ICSD 73460)
898 (JSmol) -223.1 -1159.9 11.1 78.3 Cobalt(iii) fluoride (CoF3)
901 (JSmol) -493.6 -450.8 11.3 43.6 Decamethyl-cobaltocenium hexafluorophosphate (DIMJIS01)
931 (JSmol) -156.7 -126.9 -87.9 42.8 5.5 Nickel(ii) fluoride (NiF2)
932 (JSmol) -689.4 -769.4 16.4 20.3 Nitrosyl-tris(trimethylphosphine)-nickel(0) hexafluorophosphate (FINJAN)
947 (JSmol) -290.8 -291.7 39.3 36.4 mu-2-(h5,h5-Cyclopentadienyl)-bis((h5-cyclopentadienyl)-nickel(ii)) tetrafluoroborate (TCPNIB10)
962 (JSmol) -129.7 -108.3 -99.9 12.4 60.7 Copper(ii) difluoride (CuF2)
963 (JSmol) -237.6 -234.3 30.5 56.4 Copper(II) fluoride, dihydrate (CuF2 2(H2O)) (ICSD 31768)
964 (JSmol) -673.1 -533.8 15.0 17.1 tris(Ethane-1,2-diamine-N,N')-copper(ii) bis(trifluoroacetate) (VIWMOE)
965 (JSmol) -846.6 -746.4 14.8 30.1 bis(Ethylenediamine) copper(ii) bis(tetrafluoroborate) (CUTFBE10)
1008 (JSmol) -113.7 -255.8 21.9 83.0 Zinc fluoride (ZnF2)
1025 (JSmol) -278.0 -278.1 -204.8 21.4 10.0 Gallium trifluoride (GaF3) (ICSD 22197)
1026 (JSmol) -503.6 -430.2 34.5 31.7 tris(Guanidinium) hexafluoro-gallium (BUYFOQ01)
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)
1041 (JSmol) -251.6 -241.6 16.3 16.9 1-Fluoro-2,8,9-trioxa-5-aza-1-germatricycloundecane (GAQMEQ01)
1042 (JSmol) -166.9 -184.9 33.3 50.9 Germanium(ii) fluoride (GeF2)
1043 (JSmol) -320.6 -314.8 31.7 23.6 Tetrafluoro-(1,2-bis(dimethylamino)ethane)-germanium(iv) (DITCAL)
1044 (JSmol) -262.9 -250.7 20.6 18.7 trans-Tetrafluoro-bis(pyridine)-germanium(iv) (HUMCOH01)
1045 (JSmol) -414.8 -423.5 21.9 19.3 Biguanidinium hexafluoro-germanium (NEQFUL)
1049 (JSmol) -615.8 -838.0 27.4 37.7 Potassium hexafluorogermanate (K2GeF6) (ICSD 30310)
1056 (JSmol) -234.1 -176.0 74.6 32.1 Arsenic(iii) fluoride (AsF3)
1057 (JSmol) -499.0 -469.2 35.9 15.1 Lithium hexafluoroarsenate (LiAsF6) (ICSD 74831)
1058 (JSmol) -444.4 -440.8 19.3 26.8 Oxonium hexafluoroarsenate(V) (AsF6 (H3O)) (ICSD 61236)
1067 (JSmol) -477.6 -604.8 18.2 48.6 Potassium hexafluoroarsenate (KAsF6) (ICSD 2362)
1076 (JSmol) -738.3 -740.1 18.3 22.6 bis((h5-Cyclopentadienyl)-(mu-2-fluoro)-(pentafluoro-arsenic))-vanadium(iv) (VUFFIL)
1088 (JSmol) -218.9 -191.2 20.2 42.2 Selenium(iv) tetrafluoride (SeF4) (ICSD 85451)
1099 (JSmol) -269.7 -222.2 47.3 22.8 bis(1,2,4-Triseleno-3,5-diazolium) bis(hexafluoroarsenate) (KAZBIW)
1109 (JSmol) -248.5 -233.2 9.2 8.1 Munchnone (BFAXZO)
1136 (JSmol) -53.0 -37.6 16.0 18.1 XIII 1,3-dibromo-2-chloro-5-fluorobenzene
1192 (JSmol) -226.7 -232.9 61.7 65.4 Krypton difluoride (KrF2) (ICSD 23534)
1194 (JSmol) -380.3 -388.5 59.1 56.8 Rubidium fluoride carbonate (Rb3FCO3) (ICSD 66029)
1206 (JSmol) -133.3 -134.1 -152.8 59.0 11.8 RbF
1233 (JSmol) -290.7 -259.7 10.1 6.4 Strontium fluoride (SrF2)
1234 (JSmol) -1178.7 -1141.8 16.3 19.3 18-Crown-6-bis(hexafluoro-acetylacetonato)-strontium (QUGTIW)
1256 (JSmol) -878.3 -837.3 6.8 16.4 tris(Guanidinium) difluoro-(ethylenediaminetetra-acetato)-yttrium(iii) monohydrate (JIJTIF10)
1257 (JSmol) -411.1 -403.6 -476.3 16.6 16.3 Yttrium(iii) trifluoride (YF3) (ICSD 15961)
1258 (JSmol) -571.9 -686.1 16.8 64.3 Lithium yttrium(iii) tetrafluoride (LiYF4) (ICSD 73709)
1265 (JSmol) -824.2 -1174.8 7.9 56.6 Potassium yttrium(iii) hexafluoride (K3YF6) (ICSD 416296)
1270 (JSmol) -839.0 -1096.2 50.2 57.6 Rubidium yttrium(iii) hexafluoride (Rb3YF6) (ICSD 19077)
1278 (JSmol) -456.8 -467.2 -457.3 2.6 7.3 Zirconium(iv) tetrafluoride (ZrF4)
1279 (JSmol) -609.9 -577.7 25.2 28.4 Ethylenediammonium bis(mu-2-fluoro)-decafluoro-di-zirconium (ENFZRA10)
1280 (JSmol) -538.3 -504.7 25.6 31.2 bis(Aminoguanidinium) hexafluoro-zirconate(iv) (KOJVAG02)
1281 (JSmol) -669.8 -594.5 35.4 37.9 tris(Guanidinium) heptafluoro-zirconium (DADVIN)
1287 (JSmol) -985.9 -975.2 19.7 25.6 bis(15-Crown-5-sodium) difluoro-tetrachloro-zirconium(iv) ((JAVKAS)
1296 (JSmol) -220.7 -294.4 13.4 61.5 Niobium(iii) trifluoride (NbF3) (ICSD 60246)
1297 (JSmol) -433.5 -415.7 -484.6 65.4 50.6 Niobium(v) pentafluoride (NbF5) (ICSD 26647)
1298 (JSmol) -470.7 -495.1 23.7 28.9 1-Ethyl-3-methylimidazolium hexafluoroniobate-(MESBIW)
1299 (JSmol) -802.0 -687.8 23.7 43.2 18-Crown-6-oxonium hexafluoroniobate (SINSAK)
1300 (JSmol) -1439.7 -1342.6 10.5 28.4 Trityl hexakis(pentafluorophenoxy)-niobium (QINKIH)
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)
1324 (JSmol) -163.3 -294.9 13.8 72.0 Molybdenum(iii) trifluoride (MoF3)
1325 (JSmol) -443.5 -454.8 11.1 15.4 p-Cycloheptatrienylium-tricarbonyl-molybdenum(0) tetrafluoroborate (CYHMOC10)
1326 (JSmol) -372.3 -370.0 -527.3 37.5 85.8 Molybdenum(vi) hexafluoride (MoF6) (ICSD 36219)
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)
1354 (JSmol) -282.7 -259.6 13.6 27.2 Technetium(vi) hexafluoride (TcF6) (ICSD 1211848)
1355 (JSmol) -749.2 -729.9 11.8 11.2 tris(2,2-Bipyridyl)-technetium(ii) bis(hexafluorophosphate) (SUDZOG)
1356 (JSmol) -895.8 -719.6 21.5 29.8 bis(1,4,7-Trithiacyclononane-S,S',S'')-technetium bis(tetrafluoroborate) acetonitrile solvate (WACXIH)
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)
1370 (JSmol) -491.6 -450.8 17.0 14.9 hexakis(Imidazole)-ruthenium(ii) bis(trifluoromethanesulfonate) (BIXCEQ)
1371 (JSmol) -896.1 -1014.2 28.9 30.1 (Dibenzo-18-crown-S6)-ruthenium bis(hexafluorophosphate) nitromethane solvate (SIJVAI)
1372 (JSmol) -570.6 -660.1 16.1 27.2 bis(1,4,7-Trithiacyclononane-S,S',S'')-ruthenium bis(trifluoromethanesulfonate) (FENDUX)
1373 (JSmol) -638.0 -661.8 20.3 20.5 hexakis(Thiourea-S)-ruthenium(ii) bis(trifluoromethanesulfonate) (SIZZAC)
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)
1393 (JSmol) -403.4 -227.9 16.2 66.4 tris(mu-2-Chloro)-bis((h5-pentamethylcyclopentadienyl)-rhodium(iii)) tetrafluoroborate (ASUKOO)
1398 (JSmol) -113.5 -81.1 47.4 4.2 Palladium(ii) fluoride (PdF2)
1399 (JSmol) -732.1 -639.6 18.3 21.6 Tetrakis(Acetonitrile)-palladium(ii) bis(tetrafluoroborate) (KUXSIF)
1436 (JSmol) -48.9 -238.3 92.5 91.1 Silver(i) fluoride (AgF)
1437 (JSmol) -196.6 -984.1 74.3 92.3 bis(mu-2-Trifluoroacetato-O,O')-di-silver (AGTFAC01)
1438 (JSmol) -162.1 -576.5 44.3 85.1 (2,2'-Bipyridine-N,N')-(trifluoroacetato-O)-silver(i) (MAYBAQ)
1439 (JSmol) -271.9 -584.5 51.6 84.3 bis(Cyclo-octadiene)-silver(i) tetrafluoroborate (OCDAGB)
1440 (JSmol) -270.4 -1214.9 46.2 97.1 tetrakis((mu-2-trans-Perfluoro-1-methyl-1-propenyl)-silver) (LAJJEL)
1441 (JSmol) -339.2 -1018.5 68.8 90.9 Acetonitrile-perfluoroisopropyl-silver (DUJXEL)
1442 (JSmol) -404.4 -873.7 76.3 85.7 (Hexafluoroacetylacetonato)-bis(trimethylphosphine)-silver (LEFWIC)
1456 (JSmol) -406.4 -1215.6 37.7 92.1 Hexaoxacyclododecane-di-silver silver tris(hexafluoro-arsenic) (CADXOU)
1457 (JSmol) -666.1 -765.5 32.7 53.6 bis(Tetraoxacyclododecane)-silver hexafluoroarsenate (CIJWIB)
1466 (JSmol) -691.5 -1704.3 63.4 87.1 (Hexafluoroacetylacetonato)-trimethylphosphine-silver (LEFWEY)
1478 (JSmol) -167.4 -151.4 -228.9 4.2 6.1 Cadmium fluoride (CdF2)
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)
1504 (JSmol) -413.7 -408.1 37.0 38.8 Indium hexafluoroarsenate (InAsF6) (ICSD 417952)
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)
1527 (JSmol) -618.8 -776.6 22.8 42.3 Potassium hexafluorostannate (K2SnF6) (ICSD 376982)
1540 (JSmol) -218.8 -238.1 -214.8 27.9 52.5 Antimony(iii) fluoride (SbF3)
1541 (JSmol) -257.7 -242.4 14.5 32.5 (mu-2-Pyrazine)-decafluoro-di-antimony (TUSBAK)
1542 (JSmol) -494.4 -457.0 12.2 20.4 Lithium hexafluoroantimonate (LiSbF6) (ICSD 23924)
1543 (JSmol) -382.0 -383.6 31.1 36.2 1-ethyl-3-methylimidazolium hexafluoroantimonate (AQEYIE)
1544 (JSmol) -448.6 -488.9 16.7 14.0 Sodium hexafluoroantimonate (NaSbF6) (ICSD 77919)
1547 (JSmol) -463.5 -400.4 40.8 41.4 bis(Guanidinium) sulfato-trifluoro-antimony(iii) (BEYXAE)
1548 (JSmol) -585.5 -599.3 19.9 31.2 (Trifluoromethylsulfonic acid-O)-pentafluoro-antimony (SOVWEF)
1557 (JSmol) -471.4 -583.3 8.7 60.8 Potassium hexafluoroantimonate (KSbF6) (ICSD 632)
1562 (JSmol) -457.5 -626.2 42.8 60.4 Rubidium hexafluoroantimonate (RbSbF6) (ICSD 408071)
1563 (JSmol) -309.3 -334.3 32.2 64.7 Silver hexafluoroantimonate (AgSbF6) (ICSD 411795)
1565 (JSmol) -469.4 -431.8 44.9 54.0 (mu-2-Oxo)-bis(difluoro-urea-antimony) (UROFSB10)
1566 (JSmol) -882.5 -875.9 20.1 17.0 bis((mu-2-Oxo)-(mu-2-trifluoroacetato-O,O')-trifluoro-antimony(v)) (OFAFSB01)
1567 (JSmol) -1051.6 -1082.2 8.4 16.1 (Perfluoroisopropyl)oxonium (mu-2-fluoro)-bis(pentafluoro-antimonate) (GOBDEG)
1572 (JSmol) -1005.7 -962.2 18.9 14.7 Hexacarbonyl-ruthenium(ii) bis(hexafluoroantimonate(v)) (LARPAW)
1574 (JSmol) -822.9 -863.7 37.4 32.7 Hexamethyldistibonium bis(hexafluoroantimonate) sulfur dioxide (BOFPER)
1581 (JSmol) -348.8 -354.2 47.5 59.1 Tellurium(iv) tetrafluoride (TeF4) (ICSD 85452)
1582 (JSmol) -301.8 -275.0 29.2 10.8 Tellurium(vi) hexafluoride (TeF6) (ICSD 67609)
1583 (JSmol) -431.0 -436.7 29.9 27.6 Hexamethylpiperidinium heptafluorotellurate (ROLSOA)
1586 (JSmol) -234.6 -317.3 26.2 43.5 tetrakis(Thiourea-S)-tellurium(ii) bis(hydrogen difluoride) (ZZZMJK02)
1587 (JSmol) -529.8 -535.4 28.6 32.2 tetrakis(Imidazolidine-2-thione)-tellurium(ii) hexafluorosilicate (QAMCAJ)
1598 (JSmol) -620.7 -616.4 18.4 50.8 Tetrapyridinium bis((mu-2-oxo)-trifluorotellurate(iv)) bis(pentafluorotellurate(iv)) (WAVZID)
1602 (JSmol) -1237.3 -1178.6 11.7 27.1 Tetramethylammonium tetrakis(pentafluorotelluryloxy)borate (CIGFEE)
1732 (JSmol) -171.6 105.3 28.8 55.8 Xenon dioxide (XeO2) (ICSD 26625)
1733 (JSmol) -198.1 109.4 57.6 95.7 Xenon difluoride dioxide (XeF2O2) (ICSD 10203)
1734 (JSmol) -110.2 15.6 8.7 99.9 Xenon trifluoride (Xe2F6) (ICSD 18128)
1735 (JSmol) -110.2 15.6 8.7 99.9 Xenon(II) xenon(IV) fluoride (XeF2XeF4) (ICSD 18128)
1736 (JSmol) -62.5 -47.2 18.4 9.0 99.9 Xenon tetrafluoride (XeF4) (ICSD 27467)
1737 (JSmol) -167.3 13.2 72.9 99.9 Xenon hexafluoride (XeF6) (ICSD 416320)
1738 (JSmol) -171.9 -82.4 58.7 61.9 Potassium fluorotrioxoxenate (KXeO3F) (ICSD 15219)
1739 (JSmol) -459.9 -283.6 31.8 76.8 Trifluoroxenon(IV) hexafluoroantimonate (XeF3SbF6) (ICSD 6034)
1747 (JSmol) -132.3 -115.8 -155.9 15.1 0.6 CsF
1748 (JSmol) -1198.5 -1191.2 22.3 31.4 bis(15-Crown-5)-cesium heptafluoro-2,4-bis(trifluoromethyl)pentenide (CAZWUW)
1750 (JSmol) -546.7 -669.6 39.6 61.2 Cesium hexafluorophosphate (CsPF6) (ICSD 1703996)
1755 (JSmol) -911.6 -898.6 10.1 29.6 Tetramethylammonium cesium (mu-2-fluoro)-aqua-heptafluoro-dioxo-di-vanadium (SARLUS)
1758 (JSmol) -1803.8 -1953.1 13.2 56.1 Cesium tetrakis(hexafluoroacetylacetonato)-yttrate(iii) (CYSFAC10)
1762 (JSmol) -450.9 -579.1 35.4 51.5 Cesium hexafluoroantimonate (CsSbF6) (ICSD 201886)
1766 (JSmol) -315.0 -265.1 69.1 98.1 Cesium xenon heptafluoride (CsXeF7) (ICSD 404986)
1767 (JSmol) -717.1 -114.5 63.4 88.9 Cesium tris(tetrafluorooxoxenon(VI)) fluoride (Cs(XeOF4)3F) (ICSD 49680)
1774 (JSmol) -781.9 -1054.9 8.2 39.2 Cesium yttrium(iii) hexafluoride (Cs3YF6) (ICSD 19078)
1786 (JSmol) -288.9 -286.7 -305.3 23.2 1.2 Frankdicksonite (BaF2)
1787 (JSmol) -845.2 -1093.8 8.4 22.5 Diaqua-(1,10-diaza-18-crown-6)-tetrafluorosuccinato-barium (MUJBEY)
1788 (JSmol) -980.5 -1131.7 17.2 16.5 aqua-bis(hexafluoropentane-2,4-dione)-barium (KOWPOB)
1789 (JSmol) -676.0 -842.2 20.6 28.5 Barium hexafluorosilicate (BaSiF6) (ICSD 201510)
1794 (JSmol) -263.5 -461.8 24.6 57.2 BaFCl
1802 (JSmol) -1011.2 -1218.9 31.9 51.5 BaCaAlF7
1803 (JSmol) -904.6 -974.8 30.1 39.9 Podlesnoite (BaCa2(CO3)2F2)
1810 (JSmol) -248.5 -425.4 22.2 60.9 BaBrF
1815 (JSmol) -512.4 -903.9 11.4 65.2 BaSbF5
1816 (JSmol) -215.9 -438.8 10.8 49.0 BaFI
1823 (JSmol) -1991.1 -2567.3 32.2 52.3 Usovite (Ba2CaMgAlF14)
1833 (JSmol) -363.6 -1163.8 17.1 68.1 Lanthanum(iii) trifluoride (LaF3)
1834 (JSmol) -677.6 -945.8 12.4 12.1 La Complex Sparkle (HINKAQ)
1838 (JSmol) -1558.0 -1779.3 15.3 71.0 Nona-aqua-lanthanum tris(trifluoromethanesulfonate) (BUVVIX)
1847 (JSmol) -767.8 -1612.6 14.7 62.4 Cesium potassium lanthanum hexafluoride (Cs2KLaF6)
1858 (JSmol) -1436.4 -1537.3 18.1 17.5 Pr Complex Sparkles (BUVWIY01)
1859 (JSmol) -1211.1 -1450.9 14.0 16.7 Pr Complex Sparkles (VELRUZ)
1866 (JSmol) -1370.7 -1507.9 10.2 12.7 Nd Complex Sparkle (BUVWOE01)
1876 (JSmol) -1385.7 -1520.9 21.1 21.5 Sm Complex Sparkle (BUVWUK01)
1882 (JSmol) -1367.1 -1349.8 22.0 23.5 Eu Complex Sparkle (BUVXAR11)
1890 (JSmol) -1323.5 -1485.2 22.2 21.5 Gd Complex Sparkle (BUVVOD01)
1897 (JSmol) -1339.8 -1350.4 22.6 21.8 Tb Complex Sparkle (BUVXEV01)
1904 (JSmol) -1285.2 -1380.0 23.4 24.5 Dy Complex Sparkle (BUVXIZ01)
1913 (JSmol) -274.8 -1083.5 42.9 14.4 Ho Complex Sparkle (ECOJEL)
1915 (JSmol) -1328.1 -1475.5 7.2 15.7 Ho Complex Sparkle (BUVXOF01)
1938 (JSmol) -1214.0 -1407.7 21.3 19.7 Yb Complex Sparkle (BUVYEW01)
1945 (JSmol) -138.2 -616.0 67.2 59.8 Lutetium(iii) trifluoride (LuF3)
1952 (JSmol) -1885.5 -2157.4 13.0 16.1 Lu Complex Sparkle (UFIROQ)
1953 (JSmol) -2183.8 -2332.9 18.7 27.1 Lu Complex Sparkle (BUVVUJ)
1954 (JSmol) -1639.8 -1538.5 18.2 13.4 Nona-aqua-lutetium tris(trifluoromethanesulfonate) (BUVVUJ)
1975 (JSmol) -809.6 -739.0 13.3 20.8 bis(Guanidinium) difluoro-(ethylenediaminotetra-acetato)-hafnium(iv) monohydrate (ZULSEE)
1976 (JSmol) -461.4 -457.2 -496.9 32.5 48.3 Hafnium(iv) tetrafluoride (HfF4)
1977 (JSmol) -758.2 -754.8 15.2 24.3 Tetramethylene-1,4-diammonium bis(mu-2-fluoro)-octafluoro-diaqua-di-hafnium(iv) tetrahydrate (ROLPEN)
1978 (JSmol) -657.9 -676.1 23.6 25.6 Hexamethylenediammonium hexafluoro-hafnium (RENPAB)
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)
1990 (JSmol) -328.8 -412.7 8.5 6.5 Tantalum(iii) trifluoride (TaF3) (ICSD 542010)
1991 (JSmol) -455.0 -454.6 -601.5 69.3 68.2 Tantalum(V) pentafluoride (TaF5) (ICSD 171155)
1992 (JSmol) -484.1 -504.8 28.7 28.3 Difluoropermethyltantalocene tetrafluoroborate (BAZNIZ)
1993 (JSmol) -510.2 -508.6 35.0 20.8 1-Ethyl-3-methylimidazolium hexafluorotantalate (MESBOC)
1994 (JSmol) -527.9 -526.9 26.4 30.5 tris(Guanidinium) hexafluoro-tantalum (YAVZEB01)
1995 (JSmol) -844.2 -864.2 31.0 25.7 Betainium hexafluoro-tantalum(iv) dihydrate (CEYCEO)
1996 (JSmol) -839.7 -840.0 37.3 31.4 Hydroxonium 18-Crown-6 clathrate hexafluorotantalate (SINSEO)
1997 (JSmol) -679.9 -687.9 31.1 28.5 tris(2-Ammonioethyl)amine heptafluoro-tantalum fluoride (QAJJIV)
1998 (JSmol) -1479.4 -1414.8 10.1 30.3 Trityl hexakis(pentafluorophenoxy)-tantalum (QINKON)
2000 (JSmol) -941.1 -1265.6 35.4 63.7 Trisodium octafluorotantalate (Na3TaF8) (ICSD 26611)
2019 (JSmol) -336.3 -324.0 -333.5 58.3 31.6 Tungsten oxide tetrafluoride (WOF4) (ICSD 10393)
2020 (JSmol) -373.2 -398.0 69.2 25.0 Tungsten(vi) hexafluoride (WF6) (ICSD 4027)
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)
2042 (JSmol) -715.7 -764.0 38.9 50.3 Cesium hexafluoro-2,2,2-trifluoroethoxy-tungsten(vi) acetonitrile solvate (JONCAQ)
2044 (JSmol) -568.5 -446.2 24.1 25.1 bis(Acetonitrile)-fluoro-tetramethyl-tungsten hexafluoro-tungsten (RETNAF)
2045 (JSmol) -871.1 -964.1 43.2 23.2 (mu-2-Oxo)-tetrakis(h5-cyclopentadienyl)-dimethyl-di-tungsten bis(hexafluorophosphate) (ZISMAP)
2047 (JSmol) -687.0 -763.8 35.6 24.9 bis(Dichloro-tungstocenium) hexakis(mu-2-fluoro)-dodecakisfluoro-tetra-tungsten (JUTPET)
2051 (JSmol) -307.9 -283.8 39.8 58.1 Rhenium(vi) hexafluoride (ReF6) (ICSD 1211852)
2052 (JSmol) -378.2 -362.2 25.7 19.1 Rhenium(vii) heptafluoride (ReF7) (ICSD 78311)
2053 (JSmol) -1318.9 -1351.1 22.7 22.5 tetrakis(Tetramethylthiourea)-oxo-rhenium(v) tris(hexafluorophosphate) (FIQLEW)
2066 (JSmol) -742.5 -639.7 27.4 32.8 Hexacarbonyl-rhenium(i) (mu-2-fluoro)-bis(pentafluoro-rhenium(v)) (FUZJOZ)
2070 (JSmol) -159.2 -257.6 28.1 22.3 Tetramethylammonium fluorotetraoxoosmate (XAKBUG)
2071 (JSmol) -37.3 -300.5 49.8 55.2 Osmium(v) pentafluoride (OsF5) (ICSD 14117)
2072 (JSmol) 16.1 -300.2 17.3 42.8 Osmium(vi) hexafluoride (OsF6)
2073 (JSmol) -177.3 -351.7 30.9 20.1 bis(Tetramethylammonium) hexafluoro-osmium(iv) (UFEPEA)
2075 (JSmol) -373.4 -397.9 16.7 16.5 Chloro-osmocenium hexafluorophosphate (WEHLEA)
2078 (JSmol) -113.7 -204.9 30.0 28.7 Tetraethylammonium cis-tetrachlorodifluoroosmate(v) (CAXSAV)
2084 (JSmol) -22.4 -195.2 20.6 33.7 Dipyridinomethane cis-dibromo-tetrafluoro-osmium(iv) (NILVOT)
2098 (JSmol) -127.4 -120.9 10.3 12.4 bis(Tetramethylammonium) tetraiodo-fluoro-nitrosyl-osmium (TEDYEG)
2108 (JSmol) 11.1 -626.1 10.4 86.1 Iridium(iii) trifluoride (IrF3) (ICSD 16676)
2109 (JSmol) -138.6 -137.4 -773.3 11.8 91.4 Iridium(vi) hexafluoride (IrF6) (ICSD 171654)
2119 (JSmol) -174.9 -194.4 24.3 49.4 fac-Tetraethylammonium trichloro-trifluoro-iridium(v) (MAKGUA)
2121 (JSmol) -342.2 -720.3 23.5 48.5 Potassium hexafluoroiridate(iv) (K2IrF6) (ICSD 95779)
2126 (JSmol) -224.5 -602.3 56.8 81.5 tris(mu-2-Iodo)-bis(h5-pentamethylcyclopentadienyl)-di-iridium hexafluorophosphate (GUSJEJ)
2130 (JSmol) -135.0 -173.6 6.9 62.4 Platinum(iv) tetrafluoride (PtF4) (ICSD 71579)
2131 (JSmol) -338.4 -345.3 26.9 34.4 bis(Tetramethylammonium) hexafluoroplatinate(iv) (TMAPTF01)
2133 (JSmol) -478.3 -441.0 21.9 32.8 (2,2'-Bipyrimidine)-chloro-(dimethyl sulfoxide)-platinum(ii) hexafluorophosphate (USOWIJ)
2142 (JSmol) -483.3 -547.6 45.5 18.3 Potassium hexafluoroplatinate(iv) (K2PtF6) (ICSD 16892)
2160 (JSmol) -86.9 -59.9 -159.3 52.4 92.2 Gold(iii) fluoride (AuF3) (ICSD 16876)
2161 (JSmol) -362.8 -383.2 25.4 26.2 bis(Methyl isocyanide)-gold(i) hexafluorophosphate (LUVJIV)
2189 (JSmol) -363.1 -479.8 47.8 72.8 Magnesium hydrogen fluoride tetrafluoroaurate hexafluoroaurate (MgHF(AuF4)(AuF6)) (ICSD 415872)
2195 (JSmol) -70.3 -54.2 -120.8 28.8 45.4 Mercury difluoride (HgF2)
2200 (JSmol) -377.4 -439.1 32.4 31.2 bis(tris(Dimethylamino)sulfonium) bis(mu-2-fluoro)-tetrakis(trifluoromethyl)-mercury (TUQSUT)
2212 (JSmol) -642.9 -719.7 24.1 21.1 (18-Crown-6)-potassium bis(trifluoromethyl)-iodo-mercury (AQEPIV)
2220 (JSmol) -105.1 -103.3 -290.4 34.9 70.6 Mercury fluoride (Hg2F2) (ICSD 72354)
2229 (JSmol) -77.6 -62.1 -118.1 30.5 41.0 Thallium(i) fluoride (TlF) (ICSD 90992)
2230 (JSmol) -87.3 -120.5 19.3 33.3 Thallium(iii) trifluoride (TlF3) (ICSD 10365)
2231 (JSmol) -426.8 -662.8 10.5 57.6 Thallium tetrafluoroaluminate (TlAlF4)
2237 (JSmol) -528.2 -867.7 15.2 56.3 Potassium hexafluorothallate(iii) (K3TlF6) (ICSD 19068)
2238 (JSmol) -399.8 -435.9 8.9 35.0 Thallium hexafluoroarsenate (TlAsF6) (ICSD 417954)
2242 (JSmol) -528.4 -764.3 55.4 49.5 Rubidium hexafluorothallate(iii) (Rb3TlF6) (ICSD 19075)
2244 (JSmol) -1222.9 -1783.5 7.8 32.8 bis(Mesitylene)-thallium tetrateflate-boron (FIVCOC)
2259 (JSmol) -158.7 -312.3 45.6 51.3 Lead(ii) fluoride (PbF2)
2260 (JSmol) -225.1 -190.4 -370.2 22.5 72.2 Lead(iv) tetrafluoride (PbF4) (ICSD 16795)
2261 (JSmol) -384.5 -376.0 42.7 37.9 bis((mu-2-Tetrafluoroborato-F,F')-(nu-5-pentamethyl-cyclopentadienyl))-lead (VALVOT)
2266 (JSmol) -280.1 -298.3 36.2 18.9 Catena-((mu-4-Ethane-1,2-disulfonato-O,O',O'',O''')-bis(mu-3-fluoro)-di-lead(ii)) (TIQGAC)
2295 (JSmol) -1037.3 -1663.4 30.6 44.8 Pyromorphite (Pb5(PO4)3(F))
2302 (JSmol) -215.0 -200.5 45.2 37.0 Bismuth trifluoride (BiF3) (ICSD 9015)
2303 (JSmol) -195.7 -177.1 47.2 64.6 Bismuth pentafluoride (BiF5) (ICSD 25023)
2304 (JSmol) -277.5 -206.1 66.5 87.3 Lithium hexafluorobismuthate (LiBiF6) (ICSD 15119)
2305 (JSmol) -410.6 -731.3 73.7 78.5 Sodium hexafluorobismuthate (NaBiF6) (ICSD 15120)
2307 (JSmol) -1499.8 -1401.3 18.9 15.4 Nona-aqua-bismuth(iii) tris(triflate) (ZEZTUT)
2316 (JSmol) -361.1 -608.1 45.6 72.8 Potassium hexafluorobismuthate (KBiF6) (ICSD 25024)
2317 (JSmol) -891.5 -907.5 20.1 26.2 Potassium 18-crown-6 tris(perfluorophenylthiolato)-isothiocyanato-bismuth(iii) (YULBEM)
2326 (JSmol) -507.8 -646.7 79.3 73.3 Rubidium hexafluorobismuthate (RbBiF6) (ICSD 15121)
2329 (JSmol) -341.5 -643.0 79.3 71.2 Cesium hexafluorobismuthate (CsBiF6) (ICSD 15122)
2336 (JSmol) -1779.7 -1728.3 11.4 21.3 Difluoro-tris(pentafluorophenyl)-bismuth bis(tris(pentafluorophenyl)-bismuth) (SETNOU)