Time stamp: Sun Jul 12 17:28:18 2020 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 185 Iodine-containing Solids predicted using PM7 and PM6-D3H4 with X-Ray

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

Average unsigned error in PM7 HoF: 12.76 kcal/mol, for 56 solids
Average unsigned error in PM6-D3H4 HoF: 65.38 kcal/mol, for 55 solids

     #     GUI   Heat of formation (Kcal/formula unit) Geometry        Species
                    Ref.        PM7     PM6-D3H4      PM7 PM6-D3H4 
  1672  (JSmol)                 3.3      -37.7       24.9   16.9   1,2-bis(Iodo)-1,2-diphospha-acenaphthene (GUTJOU)
  1673  (JSmol)               -55.7      -73.2       26.1   22.2   2-Iodo-1,3-di-t-butyl-1,3,2-diazaphospholene (CORGAS)
  1674  (JSmol)               -90.5     -129.8       20.6   22.1   4-Iodo-tetramethyl-tetra-aza-phosphaspiroheptane-2,6-dione (SAKMUM)
  1675  (JSmol)   -48.3       -48.5      -44.6       13.3   34.3   Ammonium iodide (NH4I)
  1676  (JSmol)   -16.2        -1.9      -55.4       18.8   53.1   Copper(i) iodide (CuI)
  1677  (JSmol)              -622.8     -614.1        6.0    5.7   Cucurbit(6)uril p-phenylenediammonium clathrate bis(iodide) decahydrate (JEVZAM)
  1678  (JSmol)               -81.7       -6.6       26.2   28.1   Cyano-bis(ethylene-1,2-diamine)-copper(ii) iodide (LEMVIJ)
  1679  (JSmol)   -55.0       -60.2     -198.8       20.9   59.1   Hydrogen iodate (HIO3) (ICSD 66643)
  1680  (JSmol)                -7.8      -15.6       10.6   51.7   Hydrogen iodide (HI) (ICSD 40251)
  1681  (JSmol)               -32.5      -16.0       47.2   71.6   Iodo-(1,4,7-trithiacyclononane-S,S',S'')-copper(i) (FITDUH)
  1682  (JSmol)   -78.4       -67.0      -84.8       30.0    5.4   KI
  1683  (JSmol)   -64.6       -61.8      -74.5       39.3    0.9   LiI
  1684  (JSmol)              -124.7     -140.5       40.0   14.2   Lithium iodide hydrate (LiI H2O) (ICSD 86231)
  1685  (JSmol)   -68.8       -73.0      -77.7        2.2   33.6   NaI
  1686  (JSmol)   -16.7       -46.8      -62.8       13.4   37.0   Phosphonium iodide (PH4I)
  1687  (JSmol)  -119.0       -80.9     -202.2       41.2   45.8   Potassium iodate (cubic) (KIO3) (ICSD 28545)
  1688  (JSmol)  -119.9       -81.3     -216.7       28.3   49.0   Potassium iodate (hexagonal) (KIO3) (ICSD 97995)
  1689  (JSmol)  -119.8       -81.9     -233.2        2.2   56.6   Potassium iodate (triclinic) (KIO3) (ICSD 20198)
  1690  (JSmol)  -111.7       -95.5     -205.8       16.2   57.0   Potassium periodate (KIO4) (ICSD 83376)
  1691  (JSmol)  -115.2       -90.0     -288.4       44.5   72.2   Sodium iodate (NaIO3) (ICSD 20168)
  1692  (JSmol)  -102.6       -92.4     -249.6       33.6   52.2   Sodium periodate (NaIO4) (ICSD 14287)
  1693  (JSmol)               -50.0      -15.0       10.7   18.1   bis(mu-2-Iodo)-bis(bis(tetrahydrothiophene)-copper(ii)) (FUHCEQ)
  1694  (JSmol)   -75.3       -77.4      -82.7       29.2    1.0   p-Iodobenzoic acid (BENMOW04)
  1695  (JSmol)               -21.6        2.0       25.4   35.1   Trimethylarsonium iodide (HAs(Me)3 I)
  1696  (JSmol)               -30.7       13.5       32.2   51.7   Trimethylselenonium iodide (METSEI01)
  1697  (JSmol)   -79.8       -84.1      -68.5       28.2   31.0   RbI
  1698  (JSmol)              -100.7      -88.0       35.4   47.8   Rubidium iodate (RbIO3) (ICSD 2825)
  1699  (JSmol)               -97.0     -127.5       37.4   55.0   Rubidium iodate hexagonal (RbIO3) (ICSD 1401730)
  1700  (JSmol)              -396.3     -284.8       27.0   32.2   bis(mu-2-Periodato)-bis(18-crown-6)-di-rubidium (JODBUA)
  1701  (JSmol)              -247.1     -208.2        3.5    5.4   Niobium chloride iodide ((Nb6Cl12)I2) (ICSD 65968)
  1702  (JSmol)              -182.1     -183.1       35.2   25.6   Trimethylenediamine-dioxo-technetium(v) iodide monohydrate (NIPRIN)
  1703  (JSmol)              -101.8     -133.3       15.9   23.8   trans-Dioxo-bis(ethylenediamine)-technetium iodide (BEWREA)
  1704  (JSmol)               -35.6        -.-       60.0    -.-   Silver iodate (AgIO3) (ICSD 14100)
  1705  (JSmol)                -7.2    -1040.7       74.3   94.1   Silver periodate (AgIO4)
  1706  (JSmol)   -14.8        -1.4       56.5        1.1    -.-   Silver(i) iodide (AgI)
  1707  (JSmol)               -21.6      -37.1       37.0   20.1   Iodo-(ethane-1,2-dithiolato)-antimony (AFOFAD)
  1708  (JSmol)               -46.7      -66.5       28.4   20.4   bis(mu-2-Tellurido)-tetrakis(1,2-diaminoethane-N,N')-di-indium(iii) bis(iodide) (BOKLET)
  1709  (JSmol)               -55.8     -224.1       23.3   31.8   2,8-dioxo-4,6-diphenyl-4-diioda-3,5,7-trioxanonane (AHORIZ)
  1710  (JSmol)              -167.3     -314.0       23.2   23.9   4,6-diphenyl-4l3,6l3-diioda-3,5,7-trioxa-2,8-dithianonane 2,2,8,8-tetraoxide (BACCUF)
  1711  (JSmol)              -140.1     -105.2       23.4   92.8   Ammonium trans-di-iodo-bis(glyoximato-N,N')-cobalt(iii) (KIDRIY)
  1712  (JSmol)   -46.0       -50.7      -58.4       13.3   28.4   Beryllium diiodide (BeI2)
  1713  (JSmol)  -127.5      -112.1     -112.8       16.7   28.2   Calcium diiodide (CaI2)
  1714  (JSmol)               -96.6       38.4       15.3   88.0   Carbonyl-(cyclopentadienyl)-di-iodo-cobalt(iii) (MULJIM)
  1715  (JSmol)   -22.2       -72.7     -224.0       11.4    -.-   Cobalt(ii) diiodide (CoI2) (ICSD 557169)
  1716  (JSmol)              -366.5      -72.0        9.2   83.2   Di-iodo-nitrosyl-bis(trimethylphosphine)-cobalt (FALTAN)
  1717  (JSmol)                20.3      -33.1       16.7   18.3   IX (XATMIP)
  1718  (JSmol)     0.0         1.8      -37.0       29.1   46.4   Iodine (I2)
  1719  (JSmol)              -113.5     -162.8       16.4   12.6   Iodo-bis(ethylenediamine)-aqua-nickel(ii) iodide (IENANI)
  1720  (JSmol)   -27.0       -36.3     -116.7       10.5   40.1   Iron(ii) diiodide (FeI2)
  1721  (JSmol)   -87.0       -82.4      -88.4       21.2   18.2   Magnesium diiodide (MgI2)
  1722  (JSmol)               -84.3       32.6       46.7   18.5   Manganese(ii) diiodide (MnI2)
  1723  (JSmol)   -18.7       -18.2      -59.1       19.9   30.1   Nickel(ii) iodide (NiI2)
  1724  (JSmol)               -23.4      -36.2        8.9   34.1   Silicon(ii) iodide (SiI2)
  1725  (JSmol)                22.9     -158.3       54.9   38.4   Vanadium(ii) diiodide (VI2)
  1726  (JSmol)   -49.7       -44.4      -48.9       32.0   22.6   Zinc iodide (ZnI2)
  1727  (JSmol)              -123.6     -128.1       25.0   83.0   bis(Di-iodo-(diethyl ether)-aluminium(ii)) (NIZWIC)
  1728  (JSmol)              -445.3     -375.1       22.9   23.6   tris(1,2-bis(Dimethoxy)ethane-O,O')-iodo-calcium iodide (ULOGAD)
  1729  (JSmol)               -81.4      -81.5       10.5   19.6   bis(mu-2-Isopropylthio-S,S)-tetraiodo-di-gallium (DIGZAU)
  1730  (JSmol)                -9.3      -11.1       38.0   36.7   Me3AsI2 (ZODJOR)
  1731  (JSmol)                -4.6       -4.2       20.6   54.6   1,4-Diselenane bis(iodine) (DSEIOD)
  1732  (JSmol)                68.1       53.9       41.6   59.1   catena-(bis(Methylenedithiotetraselenafulvalene) polyiodide) (IWOFAB)
  1733  (JSmol)  -133.4      -111.4     -116.0       11.7   40.0   Strontium iodide (SrI2)
  1734  (JSmol)              -334.0     -277.2       27.9   28.0   trans-Di-iodo-tris(methanol)-(tetramethylethylenediamine)-strontium(ii) tetramethylethylenediamine solvate (TAQPUW)
  1735  (JSmol)              -423.9     -381.7       35.1   22.4   tris(1,2-Dimethoxyethane-O,O')-diiodo-strontium(ii) (FOGRUP)
  1736  (JSmol)                49.6       35.2       14.5   10.8   tris(2,2'-Bipyridine)-di-iodo-strontium(ii) 2,2'-bipyridine solvate (TAQQUX)
  1737  (JSmol)               -14.6      -36.6       32.6   50.6   Palladium(ii) iodide (PdI2)
  1738  (JSmol)               -34.2     -189.3       17.4   72.5   Tetramethylammonium catena(di-iodo-silver(i)) (CEZHEU)
  1739  (JSmol)   -48.6       -38.5      -73.6       20.6   34.5   Cadmium diiodide (CdI2) (ICSD 44791)
  1740  (JSmol)   -34.3       -67.1      -84.7       15.5   38.2   Tin(ii) iodide (SnI2)
  1741  (JSmol)               -35.9      -55.4       28.2   11.3   catena(bis(N,N-Diethyldithiocarbamato)-iodo-antimony(iii)) iodine (ETCSBB)
  1742  (JSmol)               -19.8     -161.6       40.7   42.1   1,3-di-t-butyl-2,4,5-triiodo-2,4,5-triphosphabicyclopentane iodine (BOCROB)
  1743  (JSmol)   -75.0       -74.1      -96.4       19.6   42.3   Aluminum triiodide (AlI3)
  1744  (JSmol)               -39.1      -76.9       35.6   41.1   Ammonium triiodide (NH4I3) (ICSD 2110220)
  1745  (JSmol)               -10.1      -32.1        5.9   35.7   Boron triiodide (BI3) (ICSD 173375)
  1746  (JSmol)   -49.0       -32.4      -99.7       10.8   32.9   Chromium(iii) triiodide (CrI3)
  1747  (JSmol)    43.3        35.8       16.5       12.2   29.9   Iodoform (CHI3) (IODOFO)
  1748  (JSmol)                31.7      -64.0       43.9   38.6   Nitrogen iodide ammonia (N2H3I3) (ICSD 27416)
  1749  (JSmol)   -10.9       -21.7     -127.6        9.5   47.6   Phosphorus(iii) triiodide (PI3) (ICSD 311)
  1750  (JSmol)  -143.4      -143.9     -129.1       33.5   22.3   Scandium(iii) triiodide (ScI3)
  1751  (JSmol)              -106.9     -234.2       41.3   45.8   Titanium(iii) iodide (TiI3)
  1752  (JSmol)              -339.8     -698.3       24.3   42.0   a,e-Diaminocapronic acid iodic acid (HIRMOK)
  1753  (JSmol)                30.5        5.6       12.6   20.7   bis(Dipyridiniomethane) bis(mu-2-iodo)-tetra-iodo-di-copper(i) (DEHKEG)
  1754  (JSmol)                 5.4     -229.2       24.5   20.5   catena-(((((((Hydroxy(phenyl)iodanyl)oxy)(phenyl)-iodanyl)oxy)-sulfonyl)oxy)(phenyl)iodane) (NILXUC)
  1755  (JSmol)              -533.8     -494.3       24.8   17.5   hexakis(Urea)-vanadium tris(iodide) (HURVTI01)
  1756  (JSmol)   -57.1       -47.2      -54.3        4.9   33.9   Gallium triiodide (GaI3) (ICSD 413457)
  1757  (JSmol)               -41.2      -52.6       11.2   26.6   Tri-iodo-methyl-germanium (CUDKIV)
  1758  (JSmol)   -13.9       -29.6      -28.6       19.5   29.7   Arsenic(iii) iodide (AsI3)
  1759  (JSmol)               -70.6      -56.9       19.4   26.0   tris(Iodo)-trimethylarsane-gallium(iii) (TINJAC)
  1760  (JSmol)               -47.1     -173.8       47.4   14.9   Rubidium triiodovanadate(ii) (RbVI3) (ICSD 26455)
  1761  (JSmol)  -143.3      -153.6     -176.8       39.9   26.2   Yttrium(iii) triiodide (YI3) (ICSD 170773)
  1762  (JSmol)   -95.0       -84.3     -442.2       38.7   72.8   Zirconium(iii) triiodide (ZrI3)
  1763  (JSmol)               -21.5      -43.1       46.3   27.3   Niobium(iii) triiodide (NbI3) (ICSD 109145)
  1764  (JSmol)   -29.8       -29.5     -130.5       23.5   55.6   Molybdenum(iii) triiodide (MoI3)
  1765  (JSmol)              -456.8     -431.0       28.3   35.9   18-Crown-6 potassium tricarbonyl-tri-iodo-ruthenium (FEHGEE)
  1766  (JSmol)                40.4       36.5       44.8   97.3   Rhodium(iii) triiodide (RhI3) (ICSD 541773)
  1767  (JSmol)   -56.9       -65.8      -85.3       42.5   48.2   Indium triiodide (InI3) (ICSD 1251069)
  1768  (JSmol)               -20.4      -35.4       21.5   76.9   (1,4,7-Trithiacyclononane)-tri-iodo-antimony(iii) (JUYKUJ)
  1769  (JSmol)   -24.0       -13.1      -39.5       37.0   40.0   Antimony(iii) iodide (SbI3)
  1770  (JSmol)              -168.7     -465.6       12.7   34.7   (Oxybis((phenyliodanediyl)oxysulfonyloxy))bis(hydroxy(phenyl)iodane) (AHOREV)
  1771  (JSmol)                59.5       34.5       32.0   30.5   Carbon tetraiodide (ZZZKDW01)
  1772  (JSmol)              -118.7     -151.1       37.7   27.4   Copper(ii) tetrammine duo-diiodide (Cu(NH3)4I2) (ICSD 4072)
  1773  (JSmol)               -15.5     -141.5       20.6   34.2   Methyltri-iodophosphonium iodide (HEDGIG)
  1774  (JSmol)   -45.3       -40.2      -46.7        8.3   28.1   Silicon tetraiodide (SiI4) (ICSD 91745)
  1775  (JSmol)   -89.8      -106.8     -226.0       30.9   35.2   Titanium(iv) tetraiodide (TiI4) (ICSD 39820)
  1776  (JSmol)              -177.5     -249.2       20.7   23.3   Tri-isopropyl-iodo-phosphonium iodide dichloromethane solvate (DOQVEK)
  1777  (JSmol)                10.5       14.6       14.4   18.1   bis(4-Cyano-1-methylpyridinium) tetraiodo-zincate (FEYLOL)
  1778  (JSmol)   -33.9       -38.2      -66.2       16.5   35.7   Germanium(ii) iodide (GeI4) (ICSD 67896)
  1779  (JSmol)  -115.1      -144.9     -337.6       33.0   40.5   Zirconium(iv) tetraiodide (ZrI4) (ICSD 8068)
  1780  (JSmol)                64.5       57.8       19.0   77.9   Iodo-di(cyclopentadienyl)-ruthenium tri-iodide (RUTCIT10)
  1781  (JSmol)              -105.0      -35.7       14.7   46.0   Tetra-n-propylammonium dicarbonyl-tetraiodo-rhodium(iii) (PRAIRH)
  1782  (JSmol)              -144.8      -66.4       29.0   24.5   Triethylsulfonium tetrakis(iodo)-palladium(ii) (KIBMUE)
  1783  (JSmol)              -196.4     -153.1        9.0   19.2   Tetra-n-butylammonium tetraiodo-indate(iii) (AHOMIT)
  1784  (JSmol)               -82.3      -55.1       30.1   43.0   bis(Pentamethylcyclopentadienyl)stibocenium tetraiodoaluminium (GOMMEA)
  1785  (JSmol)               -17.9      -50.0        9.1   46.6   Tellurium(iv) tetraiodide (TeI4) (ICSD 79)
  1786  (JSmol)              -117.8     -101.0        9.2   16.4   bis(Tetraethylammonium) tetraiodo-tellurate(ii) (DAMFIG)
  1787  (JSmol)              -109.6     -201.8       18.3   50.8   tetrakis(Acetonitrile)-di-iodo-titanium tri-iodide (KADVIU)
  1788  (JSmol)   -64.2       -69.3      -81.7       28.5   17.3   Niobium(v) pentaiodide (NbI5) (ICSD 10457)
  1789  (JSmol)               -44.3      -70.9       25.1   21.2   bis(bis(mu-2-Iodo)-(h4-1,3,5-trimethylcyclohexa-2,5-diene-1,4-diyl)-niobium) iodide (ZOWYAL)
  1790  (JSmol)              -567.8       83.3        6.6    9.6   trans-mer-Aqua-di-iodo-tris(1,3,5-triaza-1-methyl-7-phosphatricyclodecane-P)-ruthenium tri-iodide dihydrate (BAQFOP01)
  1791  (JSmol)               117.6       60.4       13.5   21.5   Hexaiodobenzene (HIBENZ11)
  1792  (JSmol)              -733.1     -837.8       17.2   31.8   Di-iodo-pentakis(tetrahydrofuran)-yttrium(iii) tetra-iodo-bis(tetrahydrofuran)-yttrium(iii) (ERASIZ)
  1793  (JSmol)              -166.6     -175.2       15.2   18.5   catena-(bis(4-iodobutylammonium) bis(mu-2-iodo)-di-iodo-tin) (BIVLUO)
  1794  (JSmol)                -3.8      -85.7        6.4   33.1   bis(Trimethylammonium) hexaiodo-tellurium(iv) (DIYGOH)
  1795  (JSmol)              -363.8     -305.6       21.2   18.8   Tetra-acetonitrile-tri-iodo-zirconium acetonitrile-penta-iodo-zirconium (FINBAF)
  1796  (JSmol)              -256.0     -278.8       31.3   24.3   Polymeric tris-acetone sodium di-iodide [Na(C3H6O)3I2]n (GADMOO) (2,2,4)
  1830  (JSmol)               -83.6     -200.1       29.4   42.8   Cesium iodate (CsIO3) (ICSD 61009)
  1831  (JSmol)               -82.8     -150.5       35.1   22.0   Cesium iodate cubic (CsIO3) (ICSD 308773)
  1832  (JSmol)   -82.8       -83.5     -101.4       15.2    4.5   CsI
  1883  (JSmol)              -215.4     -442.2       19.8   48.7   BaFI
  1884  (JSmol)              -721.2     -993.8       18.2   29.4   Aqua-(7,16-bis(2-O-hydroxyethyl-2-oxyethyl)-1,4,10,13-tetraoxa-7,16-diazacyclo-octadecane)-barium(ii) di-iodide dihydrate (VEPMUY)
  1885  (JSmol)  -143.9      -132.7        -.-        8.3    -.-   Barium diiodide(BaI2) (ICSD 15707)
  1886  (JSmol)              -192.8     -589.5       24.4   59.2   Barium iodate (Ba(IO3)2) (ICSD 23276)
  1887  (JSmol)              -187.4     -405.4       21.9   27.5   catena-(tris(mu-2-4,4'-Bipyridine)-tetrakis(propan-1-ol)-tetra-iodo-di-barium(ii) bis(4,4'-bipyridine)) (TAQJIE)
  1912  (JSmol)              -340.9     -157.0       24.4   34.3   Acetonitrile)-(tris((2-pyrazinyl)methyl)amine)-tri-iodo-lanthanum(iii) acetonitrile solvate (EFUBAI)
  1913  (JSmol)  -159.9      -175.8     -708.1       31.8   77.0   Lanthanum(iii) triiodide (LaI3)
  1923  (JSmol)               396.0       38.9       15.1   18.3   Ce Complex Sparkle (XONYAA)
  1938  (JSmol)               479.7       56.9       15.6   19.3   Nd Complex Sparkle (XONYII)
  1969  (JSmol)                50.1      -47.1       16.1   16.4   Tb Complex Sparkle (VAPTEL01)
  2000  (JSmol)               363.1       12.8       23.9   29.0   Tm Complex Sparkle (TUTXOV)
  2037  (JSmol)  -131.0      -116.2     -119.8       30.9   13.6   Lutetium(iii) triiodide (LuI3)
  2038  (JSmol)              -463.9     -405.7       28.0   32.1   cis-Diiodo-tetrakis(isopropanol)-lutetium(iii) iodide (ESECEK)
  2053  (JSmol)              -314.4     -370.9       24.9   37.6   Dichloro-(bis(h4-tetramethylcyclopentadienyl)dimethylphosphonium)-hafnium iodide (ICEHED)
  2054  (JSmol)              -101.0     -343.0       18.0   95.0   Hafnium(iii) triiodide (HfI3)
  2055  (JSmol)               -98.9     -296.8       24.4   49.7   Hafnium(iv) tetraiodide (HfI4)
  2080  (JSmol)              -256.3     -367.3       78.3   16.9   Tantalum iodide (Ta6I14) (ICSD 300282)
  2109  (JSmol)              -134.9     -138.6       11.3   16.1   Tricarbonyl-(h5-(2-(trimethylammonio)ethyl)cyclopentadienyl)-iodo-tungsten(ii) iodide (LIMZIR)
  2131  (JSmol)              -115.5      -35.8       19.8   21.4   trans-bis(Pyridinium)methane di-iodo-tetrachloro-rhenium(iv) dimethylsulfoxide solvate (NOYRUO)
  2132  (JSmol)               -51.4       63.5       11.0   62.4   Rhenium(iii) triiodide (ReI3) (ICSD 1250140)
  2161  (JSmol)              -322.0     -321.5       14.0   14.4   Dicarbonyl-iodo-methyl-bis(trimethylphosphine)-osmium (SUJVOI)
  2162  (JSmol)                67.0       75.3       14.1   10.2   trans-Di-iodo-tetrakis(pyridine)-osmium(ii) (TULHUD)
  2163  (JSmol)               -67.8      -53.9       16.1   15.0   trans-Dicarbonyl-di-iodo-(2,2'-bipyridine)-osmium (NIKPIH)
  2164  (JSmol)                32.7     -388.3       78.3   63.6   Osmium(iii) triiodide (OsI3)
  2165  (JSmol)                68.0       60.0       21.0   10.7   mer-Tri-iodo-tris(pyridine)-osmium(iii) (GOBCAB)
  2166  (JSmol)                65.1      -17.9       21.4   26.4   Tetraphenylphosphonium acetylacetonato-tetra-iodo-osmium(iv) (NAPLEV)
  2167  (JSmol)              -131.2     -110.4        8.2   14.5   bis(Tetramethylammonium) tetraiodo-fluoro-nitrosyl-osmium (TEDYEG)
  2192  (JSmol)                79.4      175.7       38.9   75.5   Iridium(iii) triiodide (IrI3) (ICSD 541775)
  2194  (JSmol)              -226.4     -472.9       51.0   79.7   tris(mu-2-Iodo)-bis(h5-pentamethylcyclopentadienyl)-di-iridium hexafluorophosphate (GUSJEJ)
  2217  (JSmol)               -11.8        -.-       22.2    -.-   Platinum(ii) iodide (PtI2)
  2218  (JSmol)   -17.4       -21.5     -112.7       11.4   33.6   Platinum(iv) tetraiodide (PtI4) (ICSD 15173)
  2219  (JSmol)               -73.4     -154.0       20.9   25.6   Triethylsulfonium hexakis(iodo)-platinum(iv) (KIBMIS)
  2252  (JSmol)     0.0        -0.7       13.2       62.7   44.8   Gold(i) iodide (AuI) (ICSD 24619)
  2253  (JSmol)               104.1      174.2       43.2   38.9   bis(bis(Ethylenedithio)-tetrathiafulvalene) di-iodo-gold(i) (DECCUJ02)
  2254  (JSmol)               -13.7      -62.7       24.3   34.3   Triiodo-trimethylphosphine-gold(iii) (ABANOH)
  2255  (JSmol)                61.7      -22.1       48.8   51.9   Pyridinium tetrakis(iodo)-gold(iii) (UCILUO)
  2256  (JSmol)                 9.1      -28.9       18.5   41.6   Triethylsulfonium tetraiodoaurate (GEJQIV)
  2259  (JSmol)                17.9      -19.3       40.4   27.7   bis(mu-2-(Dimethyldimethylene-phosphoranyl-C,C))-iodomethyl-di-gold(ii) (BIBPIL)
  2280  (JSmol)              -641.9     -726.4       19.8   20.5   (18-Crown-6)-potassium bis(trifluoromethyl)-iodo-mercury (AQEPIV)
  2281  (JSmol)                22.5       -7.6       12.1   37.3   (2,2'-Bipyridine)-di-iodo-mercury(ii) (CUDWIH)
  2282  (JSmol)              -277.5     -265.4       18.8   25.8   18-crown-6-di-iodo-mercury(ii) (DENZUR01)
  2283  (JSmol)                 9.0       -8.9       24.3   29.7   Di-iodo-dipyridine-mercury(ii) (BEJLEH)
  2284  (JSmol)   -25.3        -8.2      -49.4       65.3   39.5   Mercury diiodide (HgI2)
  2285  (JSmol)               -60.8     -220.8       16.1   43.6   Mercury(ii) bisiodate (Hg(IO3)2) (ICSD 98546)
  2286  (JSmol)   -25.2        -8.3      -50.1       63.2   41.3   Mercury(ii) iodide (HgI2) (ICSD 412988)
  2287  (JSmol)              -105.0      -90.7       10.8   24.1   bis(Tetramethylammonium) tetraiodo-mercury (JOKHIA)
  2293  (JSmol)   -25.3        -0.6      -78.4       47.6   48.3   Mercury iodide (Hg2I2) (ICSD 36197)
  2294  (JSmol)               -96.6     -140.7       17.7   28.2   Di-iodo(ethylenediamine) mercury(ii) iodo(ethylenediamine) mercury(ii) tri-iodo-mercury(ii) (ENTIHG)
  2313  (JSmol)   -29.6       -15.5      -76.2       14.6   69.8   Thallium(i) iodide (TlI) (ICSD 61520)
  2314  (JSmol)              -127.0     -179.2       25.0   29.4   (18-Crown-6)-di-iodo-thallium tetra-iodo-thallium (ZEZFAL)
  2348  (JSmol)              -304.3     -326.0       12.6   32.8   18-crown-6-diiodo-lead(II) (TOJPIR)
  2349  (JSmol)   -41.9       -32.0      -57.0       39.9   57.7   Lead(ii) iodide (PbI2)
  2350  (JSmol)               -76.9      -80.9        9.9   26.1   Tetramethylammonium catena(tri-iodo-lead(ii)) (CERBUW)
  2357  (JSmol)              -691.6     -727.4        5.6   11.4   catena-[heptakis(Ethylene-1,2-diammonium) bis(oxalate) hexakis(mu-2-iodo)-dodecaiodo-tetra-lead tetrahydrate] (CEWCEN)
  2376  (JSmol)   -36.1       -27.3      -52.4       28.1   31.9   Bismuth triiodide (BiI3) (ICSD 78791)
  2394  (JSmol)                42.3       37.2       16.5   17.9   mer-Tri-iodo-tripyridyl-bismuth(iii) pyridine solvate (BIMCUV)
  2402  (JSmol)              -184.9     -215.9       38.6   38.1   tris(Guanidinium) tris(mu-2-iodo)-hexaiodo-di-bismuth(iii) (LOFROO)