Accuracy

bi(iii)s4br3 (kigdin) r   8226 Bi(III)S4Br3 (KIGDIN) (Geo)

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    #  Species Formula
  8216 BiCl4(-) (Geo)Cl4Bi
  8217 BiCl6(-)Cl6Bi
  8218 BiCl6(-) (Geo)Cl6Bi
  8219 Bi(III)Cl6(3-) (ACAYAF) (Geo)Cl6Bi
  8220 Bi(III)Cl6(3-) (ACAYAF)Cl6Bi
  8221 Bismuth selenideSeBi
  8222 Bi(III)CN2Br2 (BIMHUA) (Geo)C16H15N2Br2Bi
  8223 Bi(III)CN2Br2 (BIMHUA)C16H15N2Br2Bi
  8224 Bismuth tribromide (Geo)Br3Bi
  8225 Bismuth tribromideBr3Bi
  8226 Bi(III)S4Br3 (KIGDIN) (Geo) C8H20S4Br3Bi
  8227 Bi(III)S4Br3 (KIGDIN)C8H20S4Br3Bi
  8228 Bi(III)Br6(3-) (DEJLUZ) (Geo)Br6Bi
  8229 Bi(III)Br6(3-) (DEJLUZ)Br6Bi
  8230 Bi(III)Cl2I2(-) (JAJFEG) (Geo)Cl2I2Bi
  8231 Bi(III)Cl2I2(-) (JAJFEG)Cl2I2Bi
  8232 Bismuth triiodide (Geo)I3Bi
  8233 Bismuth triiodideI3Bi
  8234 Bi(III)N3I3 (BIMCUV) (Geo)C15H15N3I3Bi
  8235 Bi(III)N3I3 (BIMCUV)C15H15N3I3Bi
  8236 Bi(III)I4(-) (PICIBI) (Geo)I4Bi


REF: The Cambridge Structural Database: a quarter of a million crystal structures and rising. F. H. Allen, Acta Cryst. B58, 380-388, (2002)
  
 PM7
Bi(III)S4Br3 (KIGDIN)
 <Bi-Br> <><Br-Bi-Br> <Bi-S><S-Bi-Br> GR=CCDC
 Bi     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Br     2.81291900 +1    0.0000000 +0    0.0000000 +0     1     0     0
 Br     2.79451079 +1   98.9647520 +1    0.0000000 +0     1     2     0
  S     2.96292500 +1   76.8234410 +1   89.4111017 +1     1     2     3
  S     3.02041063 +1  147.4844914 +1    6.5482873 +1     1     2     4
  S     3.01356977 +1  143.9614781 +1  176.1223224 +1     1     2     5
  S     2.91818531 +1   72.5740366 +1    0.6139250 +1     1     2     6
  C     1.81345919 +1  104.1114103 +1  -66.7795283 +1     4     1     2
  C     1.83838231 +1  108.5287531 +1 -107.4112642 +1     4     1     8
  C     1.51331434 +1  111.4758484 +1  -42.7075927 +1     9     4     1
  C     1.81377951 +1  109.9744408 +1 -100.1717233 +1     5     1     2
  C     1.81376877 +1  109.7034762 +1  -89.3895371 +1     6     1     2
  C     1.82974397 +1  104.0157588 +1  110.1390310 +1     6     1    12
  C     1.51364039 +1  114.0090069 +1  -50.8061155 +1    13     6     1
  C     1.81317478 +1  105.4856014 +1   74.8565737 +1     7     1     2
  H     1.09785987 +1  113.8046734 +1  -54.3331265 +1     8     4     1
  H     1.10448334 +1  108.7986929 +1  118.3297492 +1     8     4    16
  H     1.09422170 +1  111.8774503 +1  118.3587070 +1     8     4    17
  H     1.10688434 +1  110.7282158 +1  125.1720586 +1     9     4    10
  H     1.11058651 +1  107.4939654 +1  114.3464448 +1     9     4    19
  H     1.11467208 +1  112.0038814 +1  -54.4058968 +1    10     9     4
  H     1.10855566 +1  110.0386340 +1 -116.1716397 +1    10     9    21
  H     1.10201096 +1  108.4857747 +1  -65.8841754 +1    11     5     1
  H     1.09672209 +1  113.4494565 +1  117.8061329 +1    11     5    23
  H     1.09317293 +1  112.0029412 +1  123.3433243 +1    11     5    24
  H     1.10235080 +1  108.2662750 +1  -68.2482764 +1    12     6     1
  H     1.09720432 +1  113.4575513 +1  117.8009929 +1    12     6    26
  H     1.09299094 +1  112.0828554 +1  123.4445945 +1    12     6    27
  H     1.11321926 +1  105.9765556 +1  123.5888594 +1    13     6    14
  H     1.10825753 +1  109.2346687 +1  112.6068601 +1    13     6    29
  H     1.11108118 +1  111.7154414 +1  -60.2013520 +1    14    13     6
  H     1.10952257 +1  109.9688068 +1 -115.8749421 +1    14    13    31
  H     1.09720260 +1  113.7800150 +1   60.9051289 +1    15     7     1
  H     1.09444458 +1  111.5395967 +1  123.1761778 +1    15     7    33
  H     1.10442407 +1  109.1356370 +1  118.3957603 +1    15     7    34
 Br     2.74049696 +1   96.8399679 +1  -93.2213111 +1     1     2     7