Accuracy

bi(iii)cn2br2 (bimhua) r   8222 Bi(III)CN2Br2 (BIMHUA) (Geo)

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    #  Species Formula
  8212 Bismuth trichlorideCl3Bi
  8213 Bi(III)Cl4(-) (FERCBI10) (Geo)Cl4Bi
  8214 Bi(III)Cl4(-) (FERCBI10)Cl4Bi
  8215 BiCl4(-)Cl4Bi
  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


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)CN2Br2 (BIMHUA)
 <Bi-Br> <Bi-N><N-Bi-Br> <Bi-C> GR=CCDC
 Bi     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Br     2.84492400 +1    0.0000000 +0    0.0000000 +0     1     0     0
  N     2.54662200 +1   90.4888310 +1    0.0000000 +0     1     2     0
  C     2.28200000 +1   95.3340330 +1  -89.6729242 +1     1     2     3
  C     1.38965640 +1  118.9604710 +1  -18.2106848 +1     4     1     2
  H     1.09256787 +1  122.6933848 +1    1.8113299 +1     5     4     1
  C     1.39685366 +1  119.1755388 +1  179.5352568 +1     5     4     6
  H     1.08733067 +1  119.6798939 +1  179.9583362 +1     7     5     4
  C     1.39298259 +1  120.2941987 +1  179.9569630 +1     7     5     8
  H     1.08704279 +1  120.0843193 +1  179.9354778 +1     9     7     5
  C     1.34981040 +1  121.0591755 +1  -82.5375656 +1     3     1     2
  H     1.10002841 +1  117.1073576 +1    6.2745520 +1    11     3     1
  C     1.39917528 +1  121.9661700 +1  179.7892832 +1    11     3    12
  H     1.08691171 +1  120.1397862 +1  179.7130918 +1    13    11     3
  C     1.39332722 +1  118.9129236 +1 -179.9445441 +1    13    11    14
  H     1.08974774 +1  120.4419565 +1  179.8893599 +1    15    13    11
  C     1.39243678 +1  119.1010635 +1  179.8967688 +1    15    13    16
  H     1.08720598 +1  120.9762879 +1 -179.8850193 +1    17    15    13
  C     1.34971959 +1  119.5297786 +1 -174.3724797 +1     3     1    11
  H     1.10025690 +1  117.2497598 +1   -5.5484350 +1    19     3     1
 Br     2.78721582 +1   96.3389631 +1 -165.6835600 +1     1     4     2
  N     2.44119397 +1   97.2551435 +1  -75.3592970 +1     1     2     6
  C     1.35214442 +1  120.4947327 +1    3.2557682 +1    22     1     2
  H     1.10351659 +1  117.4651332 +1   -4.4361267 +1    23    22     1
  C     1.39900283 +1  121.9732012 +1 -179.7312737 +1    23    22    24
  H     1.08787874 +1  119.9744474 +1 -179.8494354 +1    25    23    22
  C     1.39270580 +1  119.0785106 +1  179.9613563 +1    25    23    26
  H     1.09004688 +1  120.5197416 +1 -179.8774990 +1    27    25    23
  C     1.39281190 +1  118.9824221 +1 -179.8904825 +1    27    25    28
  H     1.08777668 +1  120.9635739 +1  179.7124379 +1    29    27    25
  C     1.35209798 +1  120.4690623 +1  176.1503886 +1    22     1    23
  H     1.10319749 +1  117.5264066 +1    4.3001534 +1    31    22     1
  C     1.39303268 +1  119.8489474 +1 -179.9897809 +1     9     7    10
  C     1.39690066 +1  120.2713562 +1    0.1510066 +1    33     9     7
  H     1.09281475 +1  118.0672284 +1  179.8477639 +1    34    33     9
  H     1.08729257 +1  120.0460592 +1  179.8729533 +1    33     9    34