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 184 Iodine-containing Solids predicted using PM7 with X-Ray

(All solids - Periodic Table - Home - PM7 Accuracy - Manual)

Average unsigned error in PM7 HoF: 12.84 kcal/mol, for 56 solids
Average unsigned error in PM6 HoF: 64.07 kcal/mol, for 56 solids

     #     GUI   Heat of formation (Kcal/formula unit) Geometry        Species
                    Ref.        PM7        PM6        PM7    PM6 
  1606   (JSmol)                -8.2      -14.5       10.6   51.7  Hydrogen iodide (HI) (ICSD 40251)
  1607   (JSmol)   -64.6       -62.4      -72.0       30.1    0.7  LiI
  1608   (JSmol)   -48.3       -48.1      -44.6        3.1   15.3  Ammonium iodide (NH4I)
  1609   (JSmol)              -125.2     -138.0       35.7    9.9  Lithium iodide hydrate (LiI H2O) (ICSD 86231)
  1610   (JSmol)   -75.3       -77.4      -66.8       14.7    -0.0  p-Iodobenzoic acid (BENMOW04)
  1611   (JSmol)   -55.0       -57.6     -188.0       19.4   58.5  Hydrogen iodate (HIO3) (ICSD 66643)
  1612   (JSmol)              -603.1     -545.4        2.9    5.8  Cucurbit(6)uril p-phenylenediammonium clathrate bis(iodide) decahydrate (JEVZAM)
  1613   (JSmol)   -68.8       -73.2      -75.2        4.8   33.6  NaI
  1614   (JSmol)  -115.2       -93.6     -282.2       42.9   70.1  Sodium iodate (NaIO3) (ICSD 20168)
  1615   (JSmol)  -102.6       -93.3     -239.1       13.6   52.0  Sodium periodate (NaIO4) (ICSD 14287)
  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)
  1620   (JSmol)   -78.4       -67.2      -82.5       27.4    7.1  KI
  1621   (JSmol)  -119.0       -82.7     -196.7       24.2   45.8  Potassium iodate (cubic) (KIO3) (ICSD 28545)
  1622   (JSmol)  -119.9       -83.5     -209.7       10.7   49.0  Potassium iodate (hexagonal) (KIO3) (ICSD 97995)
  1623   (JSmol)  -119.8       -84.2     -222.4       10.4   46.7  Potassium iodate (triclinic) (KIO3) (ICSD 20198)
  1624   (JSmol)  -111.7       -91.7     -199.0       15.3   57.2  Potassium periodate (KIO4) (ICSD 83376)
  1625   (JSmol)   -16.2        -2.9      -50.8       16.8   52.1  Copper(i) iodide (CuI)
  1626   (JSmol)               -81.9       19.5       24.4   20.8  Cyano-bis(ethylene-1,2-diamine)-copper(ii) iodide (LEMVIJ)
  1627   (JSmol)               -53.7      -15.3       15.4   17.0  bis(mu-2-Iodo)-bis(bis(tetrahydrothiophene)-copper(ii)) (FUHCEQ)
  1628   (JSmol)               -26.4      -18.2       35.4   71.8  Iodo-(1,4,7-trithiacyclononane-S,S',S'')-copper(i) (FITDUH)
  1629   (JSmol)               -21.8       -1.0       25.4   27.5  Trimethylarsonium iodide (HAs(Me)3 I)
  1630   (JSmol)               -33.0        6.7       30.1   50.5  Trimethylselenonium iodide (METSEI01)
  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)
  1635   (JSmol)              -241.8     -189.2        8.4   13.1  Niobium chloride iodide ((Nb6Cl12)I2) (ICSD 65968)
  1636   (JSmol)              -109.2     -109.3       15.6   14.4  trans-Dioxo-bis(ethylenediamine)-technetium iodide (BEWREA)
  1637   (JSmol)              -178.3     -169.8       24.1   21.0  Trimethylenediamine-dioxo-technetium(v) iodide monohydrate (NIPRIN)
  1638   (JSmol)   -14.8        -2.4       78.1        1.2   83.2  Silver(i) iodide (AgI)
  1639   (JSmol)                -0.6     -661.0       50.4   86.9  Silver iodate (AgIO3) (ICSD 14100)
  1640   (JSmol)                36.7     -913.1       35.1   90.9  Silver periodate (AgIO4)
  1641   (JSmol)               -21.8      -32.4       38.1   20.6  Iodo-(ethane-1,2-dithiolato)-antimony (AFOFAD)
  1642   (JSmol)               -42.4      -67.5       24.5   18.5  bis(mu-2-Tellurido)-tetrakis(1,2-diaminoethane-N,N')-di-indium(iii) bis(iodide) (BOKLET)
  1643   (JSmol)     0.0        -0.3      -35.4       30.3   44.5  Iodine (I2)
  1644   (JSmol)   -46.0       -53.0      -55.5       13.8   27.2  Beryllium diiodide (BeI2)
  1645   (JSmol)                18.0       -3.0       14.6   18.0  IX (XATMIP)
  1646   (JSmol)               -51.4     -206.1       15.1   29.7  2,8-dioxo-4,6-diphenyl-4-diioda-3,5,7-trioxanonane (AHORIZ)
  1647   (JSmol)   -87.0       -82.6      -84.5       19.7   17.6  Magnesium diiodide (MgI2)
  1648   (JSmol)              -131.0     -137.0       27.3   83.1  bis(Di-iodo-(diethyl ether)-aluminium(ii)) (NIZWIC)
  1649   (JSmol)               -23.4      -31.9        8.9   34.2  Silicon(ii) iodide (SiI2)
  1650   (JSmol)              -150.2     -289.6       12.9   19.9  4,6-diphenyl-4l3,6l3-diioda-3,5,7-trioxa-2,8-dithianonane 2,2,8,8-tetraoxide (BACCUF)
  1651   (JSmol)  -127.5      -116.1     -108.9       16.6   14.4  Calcium diiodide (CaI2)
  1652   (JSmol)              -437.2     -377.8       18.3   24.0  tris(1,2-bis(Dimethoxy)ethane-O,O')-iodo-calcium iodide (ULOGAD)
  1653   (JSmol)                18.9     -147.5       54.0   38.4  Vanadium(ii) diiodide (VI2)
  1654   (JSmol)               -83.3       36.8       46.3   17.4  Manganese(ii) diiodide (MnI2)
  1655   (JSmol)   -27.0       -39.2     -102.0       10.5   35.9  Iron(ii) diiodide (FeI2)
  1656   (JSmol)   -22.2       -75.8     -233.2       19.6   96.3  Cobalt(ii) diiodide (CoI2) (ICSD 557169)
  1657   (JSmol)               -96.1       45.8       16.0   87.8  Carbonyl-(cyclopentadienyl)-di-iodo-cobalt(iii) (MULJIM)
  1658   (JSmol)              -137.0      -94.9       22.1   92.6  Ammonium trans-di-iodo-bis(glyoximato-N,N')-cobalt(iii) (KIDRIY)
  1659   (JSmol)              -362.2      -94.8       10.8   83.1  Di-iodo-nitrosyl-bis(trimethylphosphine)-cobalt (FALTAN)
  1660   (JSmol)   -18.7       -21.1      -40.3       19.1    0.2  Nickel(ii) iodide (NiI2)
  1661   (JSmol)              -112.6     -156.6       17.4   14.9  Iodo-bis(ethylenediamine)-aqua-nickel(ii) iodide (IENANI)
  1662   (JSmol)   -49.7       -47.4      -43.7       32.0   22.6  Zinc iodide (ZnI2)
  1663   (JSmol)               -81.5      -83.6       10.5   19.2  bis(mu-2-Isopropylthio-S,S)-tetraiodo-di-gallium (DIGZAU)
  1664   (JSmol)               -13.4      -21.3       38.0   35.8  Me3AsI2 (ZODJOR)
  1665   (JSmol)                -4.3       -3.4       18.3   55.1  1,4-Diselenane bis(iodine) (DSEIOD)
  1666   (JSmol)                68.8       67.1       44.1   59.1  catena-(bis(Methylenedithiotetraselenafulvalene) polyiodide) (IWOFAB)
  1667   (JSmol)  -133.4      -114.7     -109.8       14.5   21.4  Strontium iodide (SrI2)
  1668   (JSmol)                26.2       90.0       11.2   11.5  tris(2,2'-Bipyridine)-di-iodo-strontium(ii) 2,2'-bipyridine solvate (TAQQUX)
  1669   (JSmol)              -335.5     -304.6       24.1   26.8  trans-Di-iodo-tris(methanol)-(tetramethylethylenediamine)-strontium(ii) tetramethylethylenediamine solvate (TAQPUW)
  1670   (JSmol)              -425.2     -395.9       35.0   26.9  tris(1,2-Dimethoxyethane-O,O')-diiodo-strontium(ii) (FOGRUP)
  1671   (JSmol)               -17.0      -35.5       32.6   50.6  Palladium(ii) iodide (PdI2)
  1672   (JSmol)               -39.6     -203.0       22.6   71.3  Tetramethylammonium catena(di-iodo-silver(i)) (CEZHEU)
  1673   (JSmol)   -48.6       -38.5      -58.8       20.4   24.6  Cadmium diiodide (CdI2) (ICSD 44791)
  1674   (JSmol)   -34.3       -69.0      -81.6       15.5   38.2  Tin(ii) iodide (SnI2)
  1675   (JSmol)               -44.2      -60.9       21.5   10.4  catena(bis(N,N-Diethyldithiocarbamato)-iodo-antimony(iii)) iodine (ETCSBB)
  1676   (JSmol)               -18.1      -26.5        6.0   35.8  Boron triiodide (BI3) (ICSD 173375)
  1677   (JSmol)    43.3        33.4       20.0       12.1   29.9  Iodoform (CHI3) (IODOFO)
  1678   (JSmol)               -39.0      -80.4       34.8   38.5  Ammonium triiodide (NH4I3) (ICSD 2110220)
  1679   (JSmol)                30.7      -54.4       28.3   34.6  Nitrogen iodide ammonia (N2H3I3) (ICSD 27416)
  1680   (JSmol)              -329.5     -627.3       20.7   41.8  a,e-Diaminocapronic acid iodic acid (HIRMOK)
  1681   (JSmol)   -75.0       -76.3      -92.8       19.7   42.0  Aluminum triiodide (AlI3)
  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)
  1684   (JSmol)                20.4     -194.4       16.4   23.9  catena-(((((((Hydroxy(phenyl)iodanyl)oxy)(phenyl)-iodanyl)oxy)-sulfonyl)oxy)(phenyl)iodane) (NILXUC)
  1685   (JSmol)  -143.4      -143.2     -120.5       32.8    0.0  Scandium(iii) triiodide (ScI3)
  1686   (JSmol)              -111.0     -224.5       39.2   44.4  Titanium(iii) iodide (TiI3)
  1687   (JSmol)              -502.7     -448.6       15.9   17.4  hexakis(Urea)-vanadium tris(iodide) (HURVTI01)
  1688   (JSmol)   -49.0       -32.6      -88.1        9.2   27.3  Chromium(iii) triiodide (CrI3)
  1689   (JSmol)                24.1       23.8       21.9   20.4  bis(Dipyridiniomethane) bis(mu-2-iodo)-tetra-iodo-di-copper(i) (DEHKEG)
  1690   (JSmol)   -57.1       -49.2      -50.6        6.7   33.9  Gallium triiodide (GaI3) (ICSD 413457)
  1691   (JSmol)               -41.2      -49.5       12.1   26.0  Tri-iodo-methyl-germanium (CUDKIV)
  1692   (JSmol)   -13.9       -34.9      -21.9       20.3   29.1  Arsenic(iii) iodide (AsI3)
  1693   (JSmol)               -72.1      -60.7       20.2   24.5  tris(Iodo)-trimethylarsane-gallium(iii) (TINJAC)
  1694   (JSmol)               -42.6     -171.0       42.3   11.5  Rubidium triiodovanadate(ii) (RbVI3) (ICSD 26455)
  1695   (JSmol)  -143.3      -131.6     -168.5        7.5   12.3  Yttrium(iii) triiodide (YI3) (ICSD 170773)
  1696   (JSmol)   -95.0       -89.1     -453.9       36.7   86.0  Zirconium(iii) triiodide (ZrI3)
  1697   (JSmol)               -21.4       17.7       43.3   26.6  Niobium(iii) triiodide (NbI3) (ICSD 109145)
  1698   (JSmol)   -29.8       -34.5     -119.7       19.2   54.3  Molybdenum(iii) triiodide (MoI3)
  1699   (JSmol)              -450.9     -425.4       29.7   35.6  18-Crown-6 potassium tricarbonyl-tri-iodo-ruthenium (FEHGEE)
  1700   (JSmol)                40.6       37.9       39.9   97.3  Rhodium(iii) triiodide (RhI3) (ICSD 541773)
  1701   (JSmol)   -56.9       -67.0      -77.9       15.3   48.7  Indium triiodide (InI3) (ICSD 1251069)
  1702   (JSmol)   -24.0       -18.0      -32.8       37.2   40.0  Antimony(iii) iodide (SbI3)
  1703   (JSmol)               -21.0       -1.2       18.7   67.7  (1,4,7-Trithiacyclononane)-tri-iodo-antimony(iii) (JUYKUJ)
  1704   (JSmol)                54.2       40.0       33.3   30.3  Carbon tetraiodide (ZZZKDW01)
  1705   (JSmol)   -45.3       -44.5      -41.3        9.7   28.1  Silicon tetraiodide (SiI4) (ICSD 91745)
  1706   (JSmol)               -17.7     -136.9       20.6   33.3  Methyltri-iodophosphonium iodide (HEDGIG)
  1707   (JSmol)              -150.6     -411.5       10.3   29.7  (Oxybis((phenyliodanediyl)oxysulfonyloxy))bis(hydroxy(phenyl)iodane) (AHOREV)
  1708   (JSmol)              -173.9     -276.4       19.4   24.4  Tri-isopropyl-iodo-phosphonium iodide dichloromethane solvate (DOQVEK)
  1709   (JSmol)   -89.8      -114.1     -216.1       26.8   35.2  Titanium(iv) tetraiodide (TiI4) (ICSD 39820)
  1710   (JSmol)              -117.3     -140.8       34.0   28.2  Copper(ii) tetrammine duo-diiodide (Cu(NH3)4I2) (ICSD 4072)
  1711   (JSmol)                 6.1       34.9       18.8   17.6  bis(4-Cyano-1-methylpyridinium) tetraiodo-zincate (FEYLOL)
  1712   (JSmol)   -33.9       -38.8      -58.6       17.5   33.9  Germanium(ii) iodide (GeI4) (ICSD 67896)
  1713   (JSmol)  -115.1      -144.6     -323.1       33.7   40.1  Zirconium(iv) tetraiodide (ZrI4) (ICSD 8068)
  1714   (JSmol)                64.8       66.6       19.0   77.9  Iodo-di(cyclopentadienyl)-ruthenium tri-iodide (RUTCIT10)
  1715   (JSmol)              -106.4      -55.0       17.5   45.2  Tetra-n-propylammonium dicarbonyl-tetraiodo-rhodium(iii) (PRAIRH)
  1716   (JSmol)              -137.1      -77.7       25.7   23.6  Triethylsulfonium tetrakis(iodo)-palladium(ii) (KIBMUE)
  1717   (JSmol)              -195.3     -170.5        9.7   18.2  Tetra-n-butylammonium tetraiodo-indate(iii) (AHOMIT)
  1718   (JSmol)               -74.5      -83.5       28.2   40.6  bis(Pentamethylcyclopentadienyl)stibocenium tetraiodoaluminium (GOMMEA)
  1719   (JSmol)               -17.9      -37.7        8.5   31.6  Tellurium(iv) tetraiodide (TeI4) (ICSD 79)
  1720   (JSmol)              -112.4     -128.0       11.3   10.8  bis(Tetraethylammonium) tetraiodo-tellurate(ii) (DAMFIG)
  1721   (JSmol)              -125.3     -177.3       11.8   42.8  tetrakis(Acetonitrile)-di-iodo-titanium tri-iodide (KADVIU)
  1722   (JSmol)   -64.2       -69.1      -72.3       25.3   16.8  Niobium(v) pentaiodide (NbI5) (ICSD 10457)
  1723   (JSmol)               -45.3      -63.8       25.5   14.1  bis(bis(mu-2-Iodo)-(h4-1,3,5-trimethylcyclohexa-2,5-diene-1,4-diyl)-niobium) iodide (ZOWYAL)
  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)
  1725   (JSmol)                97.2       80.2       13.6   20.1  Hexaiodobenzene (HIBENZ11)
  1726   (JSmol)              -727.7     -823.7       15.0   31.6  Di-iodo-pentakis(tetrahydrofuran)-yttrium(iii) tetra-iodo-bis(tetrahydrofuran)-yttrium(iii) (ERASIZ)
  1727   (JSmol)              -173.6     -186.6       14.9   18.8  catena-(bis(4-iodobutylammonium) bis(mu-2-iodo)-di-iodo-tin) (BIVLUO)
  1728   (JSmol)                -3.1      -91.1       11.8   30.8  bis(Trimethylammonium) hexaiodo-tellurium(iv) (DIYGOH)
  1729   (JSmol)              -371.5     -289.7        7.5   15.5  Tetra-acetonitrile-tri-iodo-zirconium acetonitrile-penta-iodo-zirconium (FINBAF)
  1763   (JSmol)   -82.8       -84.0      -98.4        9.6   15.9  CsI
  1764   (JSmol)               -69.6     -196.3        2.1   42.8  Cesium iodate (CsIO3) (ICSD 61009)
  1765   (JSmol)               -72.9     -149.0       14.0   22.0  Cesium iodate cubic (CsIO3) (ICSD 308773)
  1816   (JSmol)              -215.9     -438.8       10.8   49.0  BaFI
  1817   (JSmol)  -143.9      -135.0     -364.8        8.3   70.5  Barium diiodide(BaI2) (ICSD 15707)
  1818   (JSmol)              -177.6     -368.1       15.2   27.8  catena-(tris(mu-2-4,4'-Bipyridine)-tetrakis(propan-1-ol)-tetra-iodo-di-barium(ii) bis(4,4'-bipyridine)) (TAQJIE)
  1819   (JSmol)              -199.4     -580.6       13.6   59.0  Barium iodate (Ba(IO3)2) (ICSD 23276)
  1820   (JSmol)              -716.4     -984.0       17.7   28.8  Aqua-(7,16-bis(2-O-hydroxyethyl-2-oxyethyl)-1,4,10,13-tetraoxa-7,16-diazacyclo-octadecane)-barium(ii) di-iodide dihydrate (VEPMUY)
  1845   (JSmol)  -159.9      -180.3     -702.3       31.9   77.0  Lanthanum(iii) triiodide (LaI3)
  1846   (JSmol)              -339.6     -135.6       27.0   33.5  Acetonitrile)-(tris((2-pyrazinyl)methyl)amine)-tri-iodo-lanthanum(iii) acetonitrile solvate (EFUBAI)
  1856   (JSmol)               413.2      119.1       17.2   16.7  Ce Complex Sparkle (XONYAA)
  1870   (JSmol)               490.1      135.8       13.9   17.3  Nd Complex Sparkle (XONYII)
  1901   (JSmol)                58.1        8.3       14.1   15.6  Tb Complex Sparkle (VAPTEL01)
  1932   (JSmol)               366.4       14.0       20.8   27.0  Tm Complex Sparkle (TUTXOV)
  1968   (JSmol)  -131.0      -122.8     -113.9       30.7   13.2  Lutetium(iii) triiodide (LuI3)
  1969   (JSmol)              -455.0     -416.6       30.1   32.1  cis-Diiodo-tetrakis(isopropanol)-lutetium(iii) iodide (ESECEK)
  1984   (JSmol)              -328.3     -395.9       23.4   41.2  Dichloro-(bis(h4-tetramethylcyclopentadienyl)dimethylphosphonium)-hafnium iodide (ICEHED)
  1985   (JSmol)              -102.3     -337.4        6.7   95.1  Hafnium(iii) triiodide (HfI3)
  1986   (JSmol)              -103.8     -287.0       23.8   43.4  Hafnium(iv) tetraiodide (HfI4)
  2011   (JSmol)              -242.3     -347.1       69.1   17.2  Tantalum iodide (Ta6I14) (ICSD 300282)
  2041   (JSmol)              -134.5     -127.8       14.0   16.3  Tricarbonyl-(h5-(2-(trimethylammonio)ethyl)cyclopentadienyl)-iodo-tungsten(ii) iodide (LIMZIR)
  2063   (JSmol)              -116.5      -19.6       16.9   20.5  trans-bis(Pyridinium)methane di-iodo-tetrachloro-rhenium(iv) dimethylsulfoxide solvate (NOYRUO)
  2064   (JSmol)               -55.7       79.3       11.2   50.1  Rhenium(iii) triiodide (ReI3) (ICSD 1250140)
  2093   (JSmol)              -318.2     -332.8       11.6   14.8  Dicarbonyl-iodo-methyl-bis(trimethylphosphine)-osmium (SUJVOI)
  2094   (JSmol)                66.7      112.0       12.3   10.2  trans-Di-iodo-tetrakis(pyridine)-osmium(ii) (TULHUD)
  2095   (JSmol)               -74.1      -37.1       15.9   12.5  trans-Dicarbonyl-di-iodo-(2,2'-bipyridine)-osmium (NIKPIH)
  2096   (JSmol)                42.0     -178.3       71.0   45.2  Osmium(iii) triiodide (OsI3)
  2097   (JSmol)                70.5       92.2       15.8   10.6  mer-Tri-iodo-tris(pyridine)-osmium(iii) (GOBCAB)
  2098   (JSmol)              -127.4     -120.9       10.3   12.4  bis(Tetramethylammonium) tetraiodo-fluoro-nitrosyl-osmium (TEDYEG)
  2099   (JSmol)                67.2       27.5       21.1   25.5  Tetraphenylphosphonium acetylacetonato-tetra-iodo-osmium(iv) (NAPLEV)
  2124   (JSmol)                79.5      179.8       37.9   71.7  Iridium(iii) triiodide (IrI3) (ICSD 541775)
  2126   (JSmol)              -224.5     -602.3       56.8   81.5  tris(mu-2-Iodo)-bis(h5-pentamethylcyclopentadienyl)-di-iridium hexafluorophosphate (GUSJEJ)
  2149   (JSmol)               -13.8     -392.2       17.4   79.1  Platinum(ii) iodide (PtI2)
  2150   (JSmol)   -17.4       -25.9     -106.6       11.4   33.6  Platinum(iv) tetraiodide (PtI4) (ICSD 15173)
  2151   (JSmol)               -27.6     -169.0       25.6   24.4  Triethylsulfonium hexakis(iodo)-platinum(iv) (KIBMIS)
  2184   (JSmol)     0.0         3.9       19.0       61.4   35.8  Gold(i) iodide (AuI) (ICSD 24619)
  2185   (JSmol)               121.9      208.7       31.8   37.7  bis(bis(Ethylenedithio)-tetrathiafulvalene) di-iodo-gold(i) (DECCUJ02)
  2186   (JSmol)               -12.4      -60.0       24.9   32.6  Triiodo-trimethylphosphine-gold(iii) (ABANOH)
  2187   (JSmol)                64.6       -7.6       38.0   51.9  Pyridinium tetrakis(iodo)-gold(iii) (UCILUO)
  2188   (JSmol)                 6.2      -33.8       19.4   41.1  Triethylsulfonium tetraiodoaurate (GEJQIV)
  2191   (JSmol)                30.4      -31.8       24.4   28.1  bis(mu-2-(Dimethyldimethylene-phosphoranyl-C,C))-iodomethyl-di-gold(ii) (BIBPIL)
  2212   (JSmol)              -642.9     -719.7       24.1   21.1  (18-Crown-6)-potassium bis(trifluoromethyl)-iodo-mercury (AQEPIV)
  2213   (JSmol)   -25.3        -8.5      -43.1       65.2   42.2  Mercury diiodide (HgI2)
  2214   (JSmol)   -25.2        -7.9      -44.5       70.6   41.3  Mercury(ii) iodide (HgI2) (ICSD 412988)
  2215   (JSmol)                21.4       30.6       13.3   17.9  (2,2'-Bipyridine)-di-iodo-mercury(ii) (CUDWIH)
  2216   (JSmol)                 7.5        8.7       21.8   29.7  Di-iodo-dipyridine-mercury(ii) (BEJLEH)
  2217   (JSmol)               -55.4     -210.0       14.9   43.6  Mercury(ii) bisiodate (Hg(IO3)2) (ICSD 98546)
  2218   (JSmol)              -281.3     -260.6       17.6   25.5  18-crown-6-di-iodo-mercury(ii) (DENZUR01)
  2219   (JSmol)              -105.2     -106.8       11.1   22.1  bis(Tetramethylammonium) tetraiodo-mercury (JOKHIA)
  2225   (JSmol)   -25.3        -1.8      -70.9       47.6   48.3  Mercury iodide (Hg2I2) (ICSD 36197)
  2226   (JSmol)               -98.2     -126.7       17.5   27.7  Di-iodo(ethylenediamine) mercury(ii) iodo(ethylenediamine) mercury(ii) tri-iodo-mercury(ii) (ENTIHG)
  2245   (JSmol)   -29.6       -17.8      -43.6       13.6   40.8  Thallium(i) iodide (TlI) (ICSD 61520)
  2246   (JSmol)              -124.9     -171.1       20.1   28.7  (18-Crown-6)-di-iodo-thallium tetra-iodo-thallium (ZEZFAL)
  2280   (JSmol)   -41.9       -30.0      -52.9        0.5   57.8  Lead(ii) iodide (PbI2)
  2281   (JSmol)              -302.3     -323.5       11.4   33.0  18-crown-6-diiodo-lead(II) (TOJPIR)
  2282   (JSmol)               -78.2      -87.2        9.9   14.8  Tetramethylammonium catena(tri-iodo-lead(ii)) (CERBUW)
  2289   (JSmol)              -678.8     -648.7        4.2   11.2  catena-[heptakis(Ethylene-1,2-diammonium) bis(oxalate) hexakis(mu-2-iodo)-dodecaiodo-tetra-lead tetrahydrate] (CEWCEN)
  2327   (JSmol)   -36.1       -24.3      -44.5        1.4   32.1  Bismuth triiodide (BiI3) (ICSD 78791)
  2328   (JSmol)                33.8       74.3       14.0   17.9  mer-Tri-iodo-tripyridyl-bismuth(iii) pyridine solvate (BIMCUV)
  2334   (JSmol)              -167.0     -192.0       25.6   36.5  tris(Guanidinium) tris(mu-2-iodo)-hexaiodo-di-bismuth(iii) (LOFROO)