Accuracy

Cu(II)2N2Br4 (BPYRCU) r   4411 Cu(II)2N2Br4 (BPYRCU) (Geo)

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    #  Species Formula
  4401 Iron dibromide, dimerFe2Br4
  4402 Co(II)Br4(2-) (BPYRBC10) (Geo)CoBr4
  4403 Cobalt(II) tetrabromide (Geo)CoBr4
  4404 Nickel(II) tetrabromide D4h (Geo)NiBr4
  4405 Nickel(II) tetrabromide D4hNiBr4
  4406 Cu(II)Br4(2-) (AHUVUU) (Geo)CuBr4
  4407 Cu(II)Br4(2-) (AHUVUU)CuBr4
  4408 Copper(II) tetrabromide, dianion (Geo)CuBr4
  4409 Cu(I)2Br4(2-) (CEYWAE) (Geo)Cu2Br4
  4410 Cu(I)2Br4(2-) (CEYWAE)Cu2Br4
  4411 Cu(II)2N2Br4 (BPYRCU) (Geo) C10H10N2Cu2Br4
  4412 Cu(II)2N2Br4 (BPYRCU)C10H10N2Cu2Br4
  4413 Cu(II)2N4Br4 (BGLXCU) (Geo)C8H16N4O4Cu2Br4
  4414 Zn(II)Br4(2-) (BEYNUO) (Geo)ZnBr4
  4415 Zn(II)Br4(2-) (BEYNUO)ZnBr4
  4416 Ga(III)Br4(-) (AGOGAE) (Geo)GaBr4
  4417 Ga(III)Br4(-) (AGOGAE)GaBr4
  4418 Ga(III)2N2Br4 (BAWVEA) (Geo)C10H10N2Ga2Br4
  4419 Ga(III)2N2Br4 (BAWVEA)C10H10N2Ga2Br4
  4420 Germanium tetrabromide (Geo)GeBr4
  4421 Germanium tetrabromideGeBr4


REF: The Cambridge Structural Database: a quarter of a million crystal structures and rising. F. H. Allen, Acta Cryst. B58, 380-388, (2002)
  
 UHF PULAY PM7
Cu(II)2N2Br4 (BPYRCU)
 <Cu-Cu> <Cu-Br><Br-Cu-Cu> <Cu-N><N-Cu-Cu><> <Cu-Br(br)><Br-Cu-Cu> GR=CCDC
 Cu     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Cu     3.64388300 +1    0.0000000 +0    0.0000000 +0     1     0     0
 Br     2.41217600 +1  132.0258430 +1    0.0000000 +0     1     2     0
  N     1.99478700 +1  134.0490490 +1  119.7049384 +1     1     2     3
 Br     2.45576300 +1   42.3190230 +1   66.7474109 +1     1     2     4
  C     2.40631383 +1  141.6879089 +1  -50.5586024 +1     4     1     2
  C     1.39619428 +1   89.9445228 +1  178.2609602 +1     6     4     1
  C     1.39394926 +1  119.4659349 +1   -1.0129895 +1     7     6     4
  C     1.39973970 +1  118.9998720 +1    1.0903972 +1     8     7     6
 Br     2.44697309 +1  167.0624451 +1 -159.0073318 +1     2     1     3
 Br     2.55222752 +1   45.4827331 +1  152.4978283 +1     2     1    10
  N     1.88864331 +1   90.5304722 +1  -83.5456592 +1     2     1    11
  C     1.35872571 +1  120.4198422 +1  101.3240555 +1    12     2     1
  C     1.39475545 +1  122.4384234 +1 -178.1828327 +1    13    12     2
  C     1.39345190 +1  118.9878090 +1   -0.1305611 +1    14    13    12
  C     1.39306519 +1  118.9670557 +1   -1.7000296 +1    15    14    13
  C     1.39475885 +1  119.0415583 +1    0.5984614 +1    16    15    14
  H     2.09092924 +1   84.0719518 +1   -0.6511838 +1     4     1     6
  H     1.08828312 +1  149.1937999 +1  179.2310965 +1     6     4     7
  H     1.09144093 +1  120.1996261 +1 -179.8671863 +1     7     6     8
  H     1.08881458 +1  120.8116659 +1  179.8756316 +1     8     7     9
  H     1.09834905 +1  121.8197523 +1  179.8662543 +1     9     8     7
  H     1.10204954 +1  117.3071848 +1 -178.7228104 +1    13    12    14
  H     1.08911062 +1  120.0976912 +1 -179.7543596 +1    14    13    15
  H     1.09112901 +1  120.4341162 +1 -179.2545390 +1    15    14    16
  H     1.08897238 +1  120.9209396 +1 -178.9987509 +1    16    15    17
  H     1.10235246 +1  120.0796133 +1 -176.4659825 +1    17    16    15
  C     1.10252621 +1   35.5455811 +1  179.5357668 +1    18     4     1