Time stamp: Thu Mar 11 08:55:57 2021 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 201 Bromine-containing Solids predicted using PM7 and PM6-D3H4 with X-Ray

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

Average unsigned error in PM7 HoF: 12.45 kcal/mol, for 60 solids
Average unsigned error in PM6-D3H4 HoF: 45.02 kcal/mol, for 58 solids

     #     GUI   Heat of formation (Kcal/formula unit) Geometry        Species
                    Ref.        PM7     PM6-D3H4      PM7 PM6-D3H4 
  1173  (JSmol)   -64.7       -67.5     -153.9       22.8   73.0   Ammonium bromide (NH4Br) (ICSD 43300)
  1174  (JSmol)              -228.5     -200.2       15.4   17.5   Ethyl magnesium bromide diethyletherate (EMGBRE10)
  1175  (JSmol)              -147.7     -163.7       22.2   47.6   Hydrogen bromide dihydrate (HBr (H2O)2) (ICSD 34105)
  1176  (JSmol)              -153.9     -148.5       26.4   29.3   L-Argininium bromate (JAXFOE)
  1177  (JSmol)   -83.9       -97.4      -90.9        3.1    1.0   LiBr
  1178  (JSmol)              -250.2     -247.9       16.8    9.6   Munchnone (BFAXZO)
  1179  (JSmol)   -86.3      -105.4     -101.9       20.2   18.8   NaBr
  1180  (JSmol)   -79.9       -62.3     -138.1       27.4   35.3   Sodium bromate (NaBrO3) (ICSD 1302)
  1181  (JSmol)              -426.3     -459.4       15.8   21.7   Tetrodotoxin hydrobromide (TETXHB)
  1182  (JSmol)   -90.6       -90.5      -93.7       28.5   24.9   p-Bromobenzoic acid (BRBZAP01)
  1183  (JSmol)   -30.5       -51.1      -29.9       16.3   25.3   Phosphonium bromide (PH4Br) (ICSD 031149)
  1184  (JSmol)   -30.5       -51.1      -29.9       15.5   23.7   Phosphonium bromide (PH4Br) (ICSD 1622038)
  1185  (JSmol)                -4.0       -7.8       13.0   30.0   Disulfur dibromide (S2Br2) (ICSD 37020)
  1186  (JSmol)               -89.1      -81.5       25.8   20.3   V (BOQWIN)
  1187  (JSmol)   -94.1       -89.4     -102.2        9.2    4.9   KBr
  1188  (JSmol)   -86.1       -52.4     -117.9       29.0   33.4   Potassium bromate (KBrO3) (ICSD 47173)
  1189  (JSmol)   -68.8      -108.4      -41.3       44.8   52.6   Potassium perbromate KBrO4) (ICSD 15222)
  1190  (JSmol)   -25.0       -21.0      -20.5       19.1    8.3   Copper(i) bromide (CuBr)
  1191  (JSmol)               -83.0     -117.1       34.4   61.8   Copper(i) diammine bromide (Cu(NH3)2Br) (ICSD 170947)
  1192  (JSmol)              -227.1        -.-       20.0    -.-   Trans Cu DiGly (IWUBEH)
  1193  (JSmol)               -51.0      -23.6       11.4    6.7   tetrakis((mu-3-Bromo)-triethylamino-copper) (DEWKEV)
  1194  (JSmol)                -4.5      -24.2       18.0   50.4   Diselenium(ii) bromide (Se2Br2)
  1195  (JSmol)   -84.5       -73.6     -101.2       26.1   32.1   Beryllium dibromide (BeBr2)
  1196  (JSmol)     0.0        -6.5      -30.8       17.9   47.5   Bromine (Br2) (ICSD 24019)
  1197  (JSmol)                24.0      -39.2       14.7   10.5   Dibromo-tetrakis(pyridine)-magnesium pyridine solvate (MGPPYD)
  1198  (JSmol)              -956.6     -923.1       26.2   34.4   Hexa-aqua-magnesium(ii) 18-crown-6 dibromide dihydrate (IFOYAE)
  1199  (JSmol)  -125.3      -130.0     -135.9       16.1   20.9   Magnesium dibromide (MgBr2)
  1200  (JSmol)               -73.4      -62.5       28.1   31.9   Silicon(ii) bromide (SiBr2)
  1201  (JSmol)              -666.1     -627.7       21.8   20.5   bis((mu-2-N,N-diethylcarbamato-O,O,O')-bromo-bis(tetrahydrofuran)-magnesium) (HOYVUM)
  1202  (JSmol)               -80.0     -136.5       20.7   66.1   bis(Acetonitrile)(dibromo)beryllium (PACGEH)
  1203  (JSmol)               -99.5     -132.6       25.4   20.5   bis(Dibromo-(mu-2-dimethylamido)-aluminium) (YEFVIO)
  1204  (JSmol)              -224.9     -243.0       16.0   20.9   bis(Guanidinium) eosinate trihydrate (BOJFEM)
  1205  (JSmol)              -123.8     -110.9       17.5   21.8   Dibromo-bis(dimethyl sulfide)-beryllium (YEQWUN)
  1206  (JSmol)               -53.3      -51.2       18.8   18.1   XIII 1,3-dibromo-2-chloro-5-fluorobenzene
  1207  (JSmol)  -163.2      -160.8     -136.7       50.9   38.1   Calcium dibromide (CaBr2)
  1208  (JSmol)              -372.5     -338.2       19.9   14.7   Dibromo-tetrakis(tetrahydrofuran)-calcium naphthalene solvate (NITPUC)
  1209  (JSmol)   -96.1      -105.6     -215.0       21.4   20.5   Titanium(ii) dibromide (TiBr2) (ICSD 26078)
  1210  (JSmol)              -113.7     -100.0       29.3   26.4   Vanadium(ii) dibromide (VBr2)
  1211  (JSmol)              -128.2      -87.9        6.7   15.2   tetrakis(mu-2-Bromo)-bis((h5-ethyltetramethyl-cyclopentadienyl)-vanadium(iii)) (NAJXUR)
  1212  (JSmol)               -57.0      -94.5       12.0   15.4   Bromo-tris(2-dimethylaminoethyl)amine-manganese(ii) (DAEAMN)
  1213  (JSmol)   -92.0       -94.0       10.9       48.9   56.5   Manganese(ii) dibromide (MnBr2)
  1214  (JSmol)              -332.5     -355.5       22.1   18.4   bis(Triethyleneglycol-O,O')-manganese(ii) dibromide (BOTHIC)
  1215  (JSmol)              -125.8      -82.0       12.6   21.1   Bromo-tris(2-dimethylaminoethyl)amine-iron(ii) (DAEAFE)
  1216  (JSmol)   -59.7       -74.2     -156.1       23.9   52.3   Iron(ii) dibromide (FeBr2) (ICSD 409571)
  1217  (JSmol)   -52.8       -54.8        -.-       25.1    -.-   Cobalt(ii) bromide (CoBr2)
  1218  (JSmol)   -50.7       -47.8      -69.5       31.1    8.4   Nickel(ii) bromide (NiBr2)
  1219  (JSmol)              -339.7     -317.5       32.1   40.9   Copper(II) bromide, tetrahydrate (CuBr2 4(H2O)) (ICSD 67555)
  1220  (JSmol)              -424.4     -443.3        2.9   36.2   Copper(II) hexaquo bromate (Cu(H2O)6 BrO3) (ICSD 1402205)
  1221  (JSmol)   -25.0       -44.5      -48.5       57.4   38.4   Copper(ii) bromide (CuBr2) (ICSD 409450)
  1222  (JSmol)               -46.0      -45.2       43.3   37.7   Dibromo-(2-(2-aminoethyl)pyridine) copper(ii) (BAEPYC)
  1223  (JSmol)               -95.7      -41.0       11.8   15.0   Dibromo-(N,N,N',N'-tetramethylethylenediamine) copper(ii) (BTMECU)
  1224  (JSmol)               -48.3      -29.2       13.7   14.8   bis(mu-2-Bromo)-bis(bromopyridine-copper(ii)) (BPYRCU)
  1225  (JSmol)   -78.6       -54.0      -67.7       18.1   21.0   Zinc bromide (ZnBr2)
  1226  (JSmol)               -80.1      -85.4       14.6   18.8   Gallium(i) hexamethylbenzene tetrabromo-gallium(iii) (CEFSEL)
  1227  (JSmol)               -67.4      -83.6       23.2   65.8   bis(Dibromo-pyridine-gallium) (BAWVEA)
  1228  (JSmol)               -80.7      -27.7       38.7   16.0   Germanium(ii) bromide (GeBr2)
  1229  (JSmol)    13.8         0.7      -44.5       21.8   17.9   246-Tribromoaniline (BRANIL)
  1230  (JSmol)  -122.2      -118.3     -139.0       28.8   43.7   Aluminum tribromide (AlBr3)
  1231  (JSmol)               -79.3      -77.8       40.0   46.6   Boron tribromide (BBr3) (ICSD 24727)
  1232  (JSmol)              -393.1     -396.4       28.4   28.8   bis(mu-2-Bromo)-bis(1,2-bis(methoxyethoxy)ethane)-di-magnesium bis(mu-2-methyl)-tetrabromo-di-magnesium (OKUTAP)
  1233  (JSmol)  -109.6      -133.0     -121.7       33.1   31.7   Phosphoric tribromide (POBr3) (ICSD 1100034)
  1234  (JSmol)  -148.9      -148.5     -180.4       45.1   19.5   Scandium(iii) tribromide (ScBr3)
  1235  (JSmol)  -131.1      -135.4     -262.8        8.2   57.4   Titanium(iii) bromide (TiBr3)
  1236  (JSmol)   -72.2       -70.0        3.2        8.4   25.1   Chromium(iii) tribromide (CrBr3)
  1237  (JSmol)   -64.1      -107.2     -236.7       29.6   72.8   Iron(iii) tribromide (FeBr3)
  1238  (JSmol)   -92.4       -99.5     -110.9       27.0   37.4   Gallium tribromide (GaBr3) (ICSD 413456)
  1239  (JSmol)   -47.0       -59.1      -55.9       19.0   30.5   Arsenic(iii) bromide (AsBr3)
  1240  (JSmol)              -273.4     -271.5       12.8   30.0   Tribromo-(15-crown-5)-arsenic (JIGSUN)
  1241  (JSmol)              -110.4     -116.0       24.9   19.9   Tribromo-(trimethylarsane)-gallium(iii) (TINJEG)
  1242  (JSmol)  -147.4      -147.3     -258.3       29.0   66.5   Titanium(iv) bromide (TiBr4)
  1243  (JSmol)              -139.7      -53.2        5.6   11.6   bis(Tetramethylammonium) tetrabromo-manganese (VANPEF01)
  1244  (JSmol)               -86.2     -255.2       54.5   86.0   4-Ethylpyridinium tetrabromoferrate(iii) (EPYMBF)
  1245  (JSmol)               -60.0     -148.4       39.4   79.2   2,2'-Bipyridinedi-ium tetrabromo-cobalt(ii) (BPYRBC11)
  1246  (JSmol)              -132.4     -113.0       31.5   32.9   bis(N,N,N',N'-Tetramethylguanidinium) tetrabromo-nickel (CEPXIF)
  1247  (JSmol)               -60.0      -58.6       31.3   44.6   bis(Pyridinium) tetrabromo-copper(ii) (BACHIX)
  1248  (JSmol)               -54.5     -110.6       27.3   23.2   2,2'-Bipyridinedi-ium tetrabromo-zinc(ii) (AGEXAM)
  1249  (JSmol)              -166.9     -322.4       18.3   47.9   bis(Guanidinium) tetrabromo-zinc(ii) (BEYNUO)
  1250  (JSmol)              -153.9     -159.7        8.5   11.4   bis(Tetramethylammonium) tetrabromo-zinc(ii) (CEKLOT01)
  1251  (JSmol)              -124.5     -105.2       13.4   24.0   Tetrabromo-(1,2-bis(dimethylamino)ethane)-germanium(iv) (DITCUF)
  1252  (JSmol)   -64.5       -85.1     -124.7       30.0   24.3   Phosphorus(v) pentabromide (PBr5) (ICSD 22140)
  1253  (JSmol)              -149.1     -211.9       23.9   34.0   trans-Dibromo-tetrakis(acetonitrile-N)-vanadium(iii) tribromide (DUSGED)
  1254  (JSmol)              -189.4     -152.1        9.7   10.6   tris(Tetramethylammonium) (mu-2-bromo)-bis(dibromo-copper(i)) (CUPHEA)
  1255  (JSmol)              -155.6     -256.1       27.6   34.8   bis(Morpholinium) bis(mu-2-bromo)-octabromo-di-selenate(iv) (RAFYUS)
  1256  (JSmol)                12.6       -2.7       12.4   20.2   Hexabromobenzene (HBRBEN02)
  1257  (JSmol)              -145.2     -331.7       30.1   52.7   Aminoguanidinium hexa-bromo-copper(ii) (TIVJEN)
  1258  (JSmol)               -95.9     -223.1       10.9   15.8   Bis(1,4-Diazoniabicyclo(2.2.2)octane) bis(1-aza-4-azoniabicyclo(2.2.2)octane) tetrakis(tribromide) dibromide (DAHGUO)
  1259  (JSmol)               -52.7     -129.3       17.9   27.9   bis(N-Methyl-2-bromothiazolidinium) hexabromoselenate (POYLAQ)
  1260  (JSmol)              -251.8     -291.0        8.3   20.3   bis(Tetra-n-propylammonium) tetrakis(mu-2-bromo)-hexabromo-triselenate(ii,iv,ii) (JAMBAA)
  1283  (JSmol)              -523.0     -488.1       19.6   22.1   (18-Crown-6)-diaqua-bromo-rubidium(i) (XAJXUD)
  1284  (JSmol)   -94.3      -106.6     -109.7       26.7    4.9   RbBr
  1285  (JSmol)              -205.1     -214.0       10.4   26.6   Rubidium tribromovanadate(ii) (RbVBr3) (ICSD 201836)
  1317  (JSmol)  -171.5      -161.6     -164.3       44.0   34.5   Strontium bromide (SrBr2)
  1318  (JSmol)              -558.1     -519.8       32.4   21.4   Triaqua-bromo-(12-crown-4)-strontium bromide (WOZHUO)
  1337  (JSmol)              -208.6     -344.9       24.7   34.3   Dibromo-(N,N'-bis(2-(diethylamino)ethyl)pentane-2,4-di-iminato-N,N',N'',N''')-yttrium(iii) toluene solvate (EROZIU)
  1338  (JSmol)              -145.3     -245.7       42.6   77.9   Yttrium(iii) tribromide (YBr3) (ICSD 1300338)
  1339  (JSmol)              -870.4     -896.1       24.6   25.0   hexakis(Trimethylphosphine oxide)-yttrium(iii) tribromide (MINPUU)
  1360  (JSmol)              -110.1     -395.0       21.7   80.4   Zirconium(iii) tribromide (ZrBr3)
  1361  (JSmol)  -181.8      -200.3     -143.0       34.5    6.5   Zirconium(iv) tetrabromide (ZrBr4) (ICSD 1301292)
  1362  (JSmol)              -211.6     -213.6        8.7   33.3   tetrakis(Acetonitrile-N)-tribromo-zirconium (acetonitrile-N)-pentabromo-zirconium acetonitrile solvate (FINBEJ10)
  1378  (JSmol)               -38.8     -119.7       18.3   26.9   tetrakis(N,N-Diethyldithiocarbamato-S,S')-niobium(v) bromide (DEDRAF)
  1379  (JSmol)              -154.3     -149.1       13.8   25.2   Niobium(v) pentabromide (NbBr5) (ICSD 67298)
  1383  (JSmol)              -420.2     -447.5        1.0   23.2   Potassium niobium bromide ((Nb6Br12)Br2 (KBr)4) (ICSD 49667)
  1415  (JSmol)               -19.9     -108.0       19.2   32.5   Molybdenum(iii) tribromide (MoBr3)
  1416  (JSmol)              -364.3        -.-       68.1    -.-   bis(Morpholinium) diaqua-hexabromo-di-molybdenum(ii) (BELWEU)
  1417  (JSmol)              -550.3     -564.9       18.2   79.3   Oxonium aqua-tetrabromo-oxo-molybdenum 18-crown-6 (KUZTII)
  1418  (JSmol)              3173.4     3039.2       99.8    -.-   Rubidium hexabromomolybdate(iv) (Rb2MoBr6) (ICSD 545162)
  1421  (JSmol)             -2189.1    -2159.4       12.5   12.3   Keggin (PIJFUJ)
  1430  (JSmol)              -216.0     -158.9       24.9   55.3   fac-Tricarbonyl-(1,4,7-trithiacyclononane)-technetium(i) bromide (NUMRES)
  1431  (JSmol)              -181.0     -101.1       30.0   32.4   Tetrabutylammonium pentabromo-(tetrahydrothiophene)-technetate(iv) (WAJFUJ)
  1448  (JSmol)   -33.0       -42.3       21.7       49.6   90.3   Ruthenium(iii) tribromide (RuBr3) (ICSD 413691)
  1449  (JSmol)              -135.6      -59.3       15.6   30.4   tris(1-Ethyl-3-methylimidazolium) tris(mu-2-bromo)-bis(tribromo-ruthenate(iii)) (DIVGOE10)
  1458  (JSmol)                 6.4      103.0       13.6   58.0   Rhodium(iii) tribromide (RhBr3) (ICSD 28245)
  1459  (JSmol)              -159.3     -111.0       19.5   41.4   tris((+-)-2,3-Butanediamine)-rhodium(iii) tribromide (CIFPOW)
  1460  (JSmol)              -267.1     -631.6       20.8   86.5   bis(1,2-Diammonioethane) hexabromo-rhodium(iii) bromide monohydrate (ZOKHEM)
  1464  (JSmol)                51.3       50.9       17.9   89.8   Bromo-methyl-bis(carbonyl-cyclopentadienyl-rhodium) (MLDRHB10)
  1480  (JSmol)               -70.3        -.-       30.0    -.-   Palladium(ii) bromide (PdBr2)
  1481  (JSmol)              -123.4     -137.7       16.3   20.2   bis(Dimethylammonium) tetrabromo-palladium(ii) (FETHOB)
  1528  (JSmol)   -24.0        -7.2       33.0       34.9    -.-   Silver(i) bromide (AgBr)
  1542  (JSmol)               -68.4     -282.6       29.5   91.7   Tetramethylammonium catena-((mu-4-bromo)-bis(mu-2-bromo)-di-silver(i)) (FAGGOJ)
  1560  (JSmol)   -75.6       -72.8        -.-       34.4    -.-   Cadmium bromide (CdBr2)
  1576  (JSmol)               -16.9      -26.0       33.7   15.6   Dimethylindium bromide (DMINBR)
  1577  (JSmol)  -102.5       -98.9     -127.4       11.2   20.3   Indium tribromide (InBr3) (ICSD 65198)
  1578  (JSmol)               -44.7      -61.9       13.2   18.3   Tribromo-tris(pyridine)-indium(iii) pyridine solvate (BEHWEQ)
  1579  (JSmol)              -220.1     -207.8       10.6   13.4   Tetra-n-butylammonium tetrabromo-indium (BEFGEY)
  1601  (JSmol)   -58.2       -72.0      -40.4       79.6   42.4   Tin (ii) bromide (SnBr2)
  1602  (JSmol)   -90.1       -99.6     -104.6       25.5   30.5   Tin(iv) tetrabromide (SnBr4) (ICSD 51570)
  1603  (JSmol)              -198.9     -216.8       14.6   23.9   bis(Dimethylammonium) hexabromo-tin(iv) (BUJPUR)
  1629  (JSmol)              -122.4     -119.5       14.0   13.5   Dibromo-dimethyl-acetylacetonato-antimony(v) (MBACSB10)
  1630  (JSmol)   -62.0       -68.4      -65.4       40.4   30.8   Antimony(iii) bromide (SbBr3)
  1631  (JSmol)                99.6      -11.8       14.3   46.6   (1,10-phenanthroline)-tetrabromo-antimony(iii) 1,10-phenanthroline (DOSXUF)
  1632  (JSmol)               -84.9     -122.5       30.8   36.2   catena-(4-Aminopyridinium bis(mu-2-bromo)-dibromo-antimony(iii)) (ENIKIV)
  1633  (JSmol)               -48.8     -106.4       21.8   30.6   (4,4-bipyridinedi-ium) 4,4-bipyridinium hexabromo-antimony(iii) (DOSYAM)
  1644  (JSmol)               -59.4      -50.4       13.3    8.9   bis(Dimethyldibromo-antimony)methane (CEHGAX)
  1666  (JSmol)   -45.5       -84.5     -126.7       49.6   57.8   Tellurium(iv) tetrabromide) (TeBr4) (ICSD 1600105)
  1831  (JSmol)   -97.0      -117.0     -119.1       10.0    4.8   CsBr
  1885  (JSmol)              -248.8     -431.1       21.5   66.2   BaBrF
  1886  (JSmol)  -326.5      -329.7     -670.1       31.4   84.3   Barium bromide dihydrate (BaBr2 2(H2O)) (ICSD 33949)
  1887  (JSmol)  -181.0      -193.2     -394.8       22.4   93.1   Barium dibromide (BaBr2) (ICSD 15706)
  1888  (JSmol)              -661.6     -920.3       24.7   52.1   Bromo-(15-crown-5)-triaqua-barium bromide monohydrate (LIFDAG)
  1889  (JSmol)              -727.7    -1012.0       21.0   31.5   bis(1,4,7,10,13-Pentaoxacyclopentadecane)-barium bromide dihydrate (PXCDBA)
  1919  (JSmol)              -182.1     -911.8       70.6   90.6   Lanthanum(iii) tribromide (LaBr3)
  1926  (JSmol)              -763.1     -789.3       27.9   22.3   Dibromo-bis(diglyme-O,O',O'')-lanthanum(iii) tetrabromo-(diglyme-O,O',O'')-lanthanum(iii) (RIGYUB)
  2021  (JSmol)              -224.0     -193.6       27.2   18.7   Dibromo-(tetrahydrofuran)-(2,6-bis((3-mesityl-1,3-dihydroimidazol-2-ylidene)methyl)phenyl)-lutetium tetrahydrofuran solvate (TOJMEL)
  2029  (JSmol)               -72.1     -426.7       24.1   29.2   Lu Complex Sparkle (XECQUR)
  2033  (JSmol)              -255.4     -188.3       43.3   13.3   Lutetium(iii) tribromide (LuBr3)
  2051  (JSmol)              -175.3     -344.8       16.9   67.8   Hafnium(iv) tetrabromide (HfBr4)
  2075  (JSmol)  -143.0      -170.7     -171.0       41.1   28.7   Tantalum(v) pentabromide (TaBr5) (ICSD 109324)
  2076  (JSmol)              -163.1        -.-       20.4    -.-   Tantalum(v) pentabromide (TaBr5) (ICSD 1301641)
  2087  (JSmol)              -473.7     -290.6       59.4   15.8   Tantalum bromide (Ta6Br14) (ICSD 402031)
  2090  (JSmol)              -572.8     -559.9       24.7   22.8   18-Crown-6 hydroxonium clathrate aqua-oxo-tetrabromo-tungsten (NANQEY)
  2107  (JSmol)              -103.5        -.-       39.2    -.-   Tungsten(iii) tribromide (WBr3)
  2108  (JSmol)   -83.3      -106.4      -74.7       15.9    7.6   Tungsten(vi) hexabromide (WBr6) (ICSD 62048)
  2115  (JSmol)              -123.5     -145.8        8.3   24.4   trans Ammonium tetrabromo-bis(4-methylpyridyl)-tungsten(iii) 4-methylpyridine ammonia solvate (JEPCUC)
  2126  (JSmol)               -38.2      -50.4       13.1   21.2   Dimethylammonium hexabromo-rhenium (COJYAB)
  2129  (JSmol)   -39.9       -15.1       79.8       14.5   49.5   Rhenium(iii) tribromide (ReBr3) (ICSD 1707233)
  2136  (JSmol)               -20.3     -124.7       16.9   20.9   tetrakis(Terpyridinium) bis(aqua-tetrabromo-oxo-rhenate(v)) hexabromo-rhenate(iv) tetrabromide dihydrate (MIGDUC)
  2146  (JSmol)              -314.1     -342.1       21.7   45.7   Dibromo-tetrakis(dimethyl sulfoxide-S)-osmium(ii) (SAWZAR)
  2147  (JSmol)               -24.3     -217.5       20.1   26.9   Dipyridinomethane cis-dibromo-tetrafluoro-osmium(iv) (NILVOT)
  2149  (JSmol)                35.9     -228.0       21.2   46.8   Osmium(iv) tetrabromide (OsBr4)
  2156  (JSmol)              -208.2     -130.5        9.4   16.9   Tribromo-nitrosyl-diethylsulfido-(diethylsulfoxide-O)-osmium(ii) (SOGYAO)
  2157  (JSmol)               -80.0     -183.4       10.2   15.7   bis(Tetra-n-butyl-ammonium) bis(mu-2-bromo)-octabromo-di-osmium (COZZIA)
  2158  (JSmol)              -109.8     -168.8       11.5   20.6   bis(Tetra-n-butylammonium) bis(tetrabromo-osmium(iii)) (DUGLIA)
  2161  (JSmol)                50.4      -53.2       22.8   15.1   bis(Triphenylphosphonium) hexabromo-osmium(iv) (GEBMAB)
  2162  (JSmol)              -144.4     -142.6       25.8   43.0   cis-1,2-Ethylenediamine-bis(1,2-ethylenediaminato)-osmium(iv) dibromide (BOSRUW)
  2163  (JSmol)                35.9       -7.1       16.1   11.2   mer-Tribromo-tris(pyridine)-osmium(iii) (GOBBUU)
  2166  (JSmol)               -93.5     -102.1       14.4   25.7   trans-Dicarbonyl-dibromo-(2,2'-bipyridine)-osmium (NIKPED)
  2167  (JSmol)              -116.7      -77.8       23.2   20.0   trans-Tetrabromo-bis(tetrahydrothiophene)-osmium (GOMXEL)
  2168  (JSmol)              -223.5     -214.5       29.2   36.6   trans-bis(Acetylacetonato)-dibromo-osmium (RILRUZ)
  2177  (JSmol)                40.8     -142.4       21.9   25.5   bromo-bis(tetramethylcyclopentadienyl)-osmium(iv) bis(mu-2-bromo)-dibromo-bis(cyclo-1,5-octadiene)-di-osmium(iii) (KEMPOI)
  2182  (JSmol)                45.1     -171.6       23.2    -.-   Iridium(iii) tribromide (IrBr3) (ICSD 14212)
  2198  (JSmol)              -247.8      -45.8       21.3   23.8   tris(Tetrabutylammonium) trans-dibromo-tetrathiocyanato-iridium(iii) (LOFKUM)
  2208  (JSmol)   -19.6       -21.7       -4.7       10.6   15.4   Platinum(ii) bromide (PtBr2)
  2215  (JSmol)              -544.4     -550.8        8.2   54.1   Tetra-ammine-trans-dibromo-platinum(iv) bis(methanesulfonate) monohydrate (TARFIB)
  2216  (JSmol)               -57.1      -59.0       11.2    9.3   Tetraethylammonium tetrabromo-di-mu-bromo-diplatinum(ii) (ETABPT01)
  2239  (JSmol)                17.9       23.4       48.0   24.7   Dimethylgold-bis(mu-2-bromo)-dibromo-gold (MEBRAU)
  2241  (JSmol)    -3.3        -1.7      -18.1       31.8   86.6   Gold(i) bromide (AuBr) (ICSD 200287)
  2245  (JSmol)   -12.7        -0.6       11.0       65.0   31.5   Gold(iii) tribromide (AuBr3) (ICSD 4069)
  2249  (JSmol)               -73.4      -67.5       26.4   19.8   Tribromo-(trimethylphosphine) gold (BRMPAU)
  2250  (JSmol)               -22.1       -6.0       43.4   18.8   Tribromo-dimethylsulfido-gold(iii) (GIGWEY)
  2258  (JSmol)              -137.0     -144.8       23.4   37.0   p-Phenylenediammonium tetrabromo-gold(iii) bromide monohydrate (GEVHAR)
  2268  (JSmol)                43.2      -84.5       33.6   48.3   Bromo-dimethylsulfido-gold(i) (GIGWAU)
  2269  (JSmol)              -303.7     -297.3       18.8   35.1   18-Crown-6-dibromo-mercury(II) (POLKEG)
  2273  (JSmol)   -24.9       -13.8      -54.2       35.6   82.6   Mercury bromide (HgBr) (ICSD 1405393)
  2274  (JSmol)   -40.8       -45.4      -49.8       27.1   68.0   Mercury dibromide (HgBr2)
  2282  (JSmol)               -90.6      -95.7       20.1   26.4   Tetramethylammonium mercury tribromide (TMAHGB)
  2284  (JSmol)              -162.5     -207.2       37.3   55.8   bis(Guanidinium) tetrabromido-mercury(ii) (JISFUN01)
  2285  (JSmol)              -145.9     -127.4       11.6    9.1   bis(Tetramethylammonium) tetrabromo-mercury(ii) (MATBHG)
  2296  (JSmol)   -49.4       -27.0      -29.1       34.3   71.5   Mercury bromide (Hg2Br2) (ICSD 31174)
  2310  (JSmol)   -41.4       -30.9      -44.6       35.1   67.4   Thallium(i) bromide (TlBr) (ICSD 541941)
  2313  (JSmol)               -30.8      -73.0       36.0   76.8   Thallium(i) tetrabromothallate(iii) (Tl2Br4) (ICSD 14216)
  2317  (JSmol)              -605.4     -578.1       13.6   45.7   bis(15-Crown-5)-rubidium tetrabromo-thallium (HEWNAY)
  2328  (JSmol)              -382.8     -382.6       25.0    9.2   18-Crown-6-dibromo-lead(ii) (RUMQEV)
  2345  (JSmol)   -66.6       -52.4      -59.2       25.3   52.9   Lead(ii) bromide (PbBr2)
  2369  (JSmol)              -705.1     -913.8       11.6   43.3   catena-(tetrakis(Propane-1,3-diammonium) tetrakis(mu-2-bromo)-decabromo-tri-lead(ii) dihydrate) (CAKDIB)
  2378  (JSmol)   -87.7       -89.9     -115.7       59.6   76.0   Bismuth oxide bromide (BiOBr) (ICSD 61225)
  2381  (JSmol)   -66.0       -58.5      -76.8       21.6   77.4   Bismuth tribromide (BiBr3) (ICSD 100294)
  2393  (JSmol)               -20.7      -31.8       25.2   27.9   bis((mu-2-Bromo)-2,2'-bipyridine-dibromo-bismuth(iii)) acetonitrile solvate (PURQAU)
  2395  (JSmol)              -338.0     -415.0       28.1   43.0   bis(Ethylenediammonium) hexabromo-bismuth(iii) bromide monohydrate (YINDUV)
  2397  (JSmol)              -197.4     -184.7       19.5   23.6   catena-((18-Crown-6)-dibromo-bismuth(iii) bis(mu-2-bromo)-dibromo-bismuth(iii)) (KOZMAN)
  2404  (JSmol)              -262.0     -265.9       15.1   16.6   tris(Diethylammonium) hexabromo-bismuth(iii) (DEJLUZ)
  2409  (JSmol)              -273.7     -577.2       25.8   60.0   tris(Guanidinium) tris(mu-2-bromo)-hexabromo-di-bismuth(iii) (ICUMUP)