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      -168.7     -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      -845.4    -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      -252.8     -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      -105.0    -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      -232.4     -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        10.0     -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      -212.5     -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      -152.9     -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)