Accuracy

Cu(III)N4(-) (BIPLUH) r   3637 Cu(III)N4(-) (BIPLUH) (Geo)

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    #  Species Formula
  3627 Cu(I)(H2O)4 (Geo)H8O4Cu
  3628 Cu(Acac)2C10H14O4Cu
  3629 Cu(II)O4 (ACACCU) (Geo)C10H14O4Cu
  3630 Cu(II)O4 (ACACCU)C10H14O4Cu
  3631 Copper cis-diglycine (Geo)C4H8N2O4Cu
  3632 Copper cis-diglycineC4H8N2O4Cu
  3633 Cu(II)O4N2 (CUAMAC) (Geo)C4H12N2O4Cu
  3634 Cu(II)O4N2 (CUAMAC)C4H12N2O4Cu
  3635 Copper - 3N plus 2O (Geo)C16H11N5O4Cu
  3636 Cu(II)N4(2+) (BUKPOM) (Geo)C4H12N8O4Cu
  3637 Cu(III)N4(-) (BIPLUH) (Geo) C8H12N8O4Cu
  3638 Cu(III)N4(-) (BIPLUH)C8H12N8O4Cu
  3639 Cu(II)(H2O)6H12O6Cu
  3640 Cu(II)(H2O)6 (Geo)H12O6Cu
  3641 Copper(ii) nitrate (Geo)N2O6Cu
  3642 Cu(II)O4N2 (ABCOPD) (Geo)C8H20N2O6Cu
  3643 Cu(II)O4N2 (AZNICU) (Geo)C6H14N4O6Cu
  3644 Cu(II)O4N2 (AZNICU)C6H14N4O6Cu
  3645 Cu(II)N4O2 (COPDEN) (Geo)C4H16N6O6Cu
  3646 Cu(II)N4O2 (COPDEN)C4H16N6O6Cu
  3647 Cu(II)O4(2-) (CACLIB) (Geo)C4O8Cu


REF: The Cambridge Structural Database: a quarter of a million crystal structures and rising. F. H. Allen, Acta Cryst. B58, 380-388, (2002)
  
 UHF CHARGE=-1 PM7
Cu(III)N4(-) (BIPLUH)
 <Cu-N> <><N-Cu-N> GR=CCDC
 Cu     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  N     1.88536600 +1    0.0000000 +0    0.0000000 +0     1     0     0
  N     1.93313330 +1   96.0670780 +1    0.0000000 +0     1     2     0
  C     2.35362449 +1   96.1219137 +1    4.5306667 +1     2     1     3
  C     1.53636717 +1  142.5041213 +1  150.8249500 +1     4     2     1
  N     1.39421021 +1  109.4666233 +1  -38.7148627 +1     3     1     2
  C     1.35338242 +1  122.9323948 +1  149.9875251 +1     3     1     6
  O     1.21577748 +1  128.9756518 +1 -156.1670513 +1     7     3     1
  C     1.54777446 +1  111.4293637 +1 -179.6032393 +1     7     3     8
  O     1.20463978 +1  126.4550801 +1  158.5031724 +1     9     7     3
  N     1.42144328 +1  110.5691837 +1  177.3544627 +1     9     7    10
  N     1.30825647 +1  118.7210188 +1 -166.9114947 +1    11     9     7
  C     1.52205488 +1  118.3609843 +1  165.1155734 +1    12    11     9
  C     1.53285496 +1  106.1605410 +1  165.3409277 +1    13    12    11
  N     1.46090188 +1  114.1227668 +1 -121.2185433 +1    13    12    14
  N     1.40085466 +1  112.8622865 +1  -69.4070752 +1    15    13    12
  C     1.38110589 +1  115.6186511 +1  -71.9329602 +1    16    15    13
  O     1.21200503 +1  127.9466826 +1    0.3251372 +1    17    16    15
  C     1.36064319 +1  116.2836835 +1 -169.3382517 +1     2     1     4
  O     1.21087556 +1  131.0727403 +1 -157.2266775 +1    19     2     1
  H     1.09343614 +1  111.1241747 +1  167.0370759 +1     5     4     2
  H     1.09854344 +1  109.8120320 +1 -119.2031660 +1     5     4    21
  H     1.09328812 +1  112.0803103 +1 -119.2859765 +1     5     4    22
  H     1.09319830 +1  112.3098620 +1   63.9815570 +1    14    13    12
  H     1.10302928 +1  108.7831877 +1  118.2900641 +1    14    13    24
  H     1.09349050 +1  112.8676421 +1  118.4971867 +1    14    13    25
  H     1.99144427 +1  115.3507585 +1 -134.8094245 +1     2     1    19
  H     1.02393689 +1  111.3695043 +1 -167.3894561 +1     6     3     1
  H     1.01507734 +1  120.1337998 +1 -164.3673578 +1    12    11    13
  H     1.02147598 +1  113.2208087 +1  122.8801454 +1    15    13    16
  H     1.12410303 +1   88.0066315 +1  122.1198195 +1     4     2     5
  H     1.13412416 +1  106.4913445 +1 -120.0308024 +1    13    12    15
  N     1.02710199 +1   42.1457517 +1 -118.0986351 +1    27     2     1