Accuracy

Cu(II)N4(2plus) (BUKPOM) r   3636 Cu(II)N4(2+) (BUKPOM) (Geo)

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    #  Species Formula
  3626 Copper (OH)2(H2O) (Geo)H4O3Cu
  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


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=2 PM7
Cu(II)N4(2+) (BUKPOM)
 <Cu-N> <><N-Cu-N> GR=CCDC
 Cu     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  N     1.97855900 +1    0.0000000 +0    0.0000000 +0     1     0     0
  N     1.98509032 +1   79.8577510 +1    0.0000000 +0     1     2     0
  N     2.38316196 +1  144.2795056 +1  -10.0218267 +1     3     1     2
  N     2.38423423 +1  144.8298452 +1   -7.1987686 +1     2     1     3
  O     1.38131308 +1  127.3954164 +1 -164.0111999 +1     2     1     5
  O     1.38024458 +1  128.1576394 +1 -165.7309840 +1     3     1     4
  C     1.33171710 +1  117.7841983 +1  169.0658736 +1     2     1     6
  C     1.33246392 +1  117.2703693 +1  171.7502344 +1     3     1     7
  N     2.10229021 +1   87.4180431 +1  132.4306333 +1     1     3     2
  N     2.13400391 +1   86.2755116 +1 -143.4958829 +1     1     2     8
  O     1.38956857 +1  123.8706077 +1   34.5891642 +1    10     1     3
  C     1.33292213 +1  119.6624420 +1 -159.2784431 +1    10     1    12
  O     1.39102935 +1  123.1970750 +1  -37.2204381 +1    11     1     2
  C     1.33320704 +1  117.6061711 +1  150.0989773 +1    11     1    14
  N     1.34522539 +1  125.8293234 +1  166.9073302 +1    13    10     1
  N     1.34593607 +1  125.8446090 +1 -158.8202429 +1    15    11     1
  H     1.00388752 +1  151.1352600 +1    4.8101058 +1     4     3     1
  H     1.01821941 +1   93.0314277 +1 -170.3599251 +1     5     2     1
  H     1.00449233 +1  150.7795761 +1  169.9277109 +1     5     2    19
  H     1.01421741 +1  102.2317108 +1  -43.8272096 +1     6     2     1
  H     1.01367121 +1  102.8569415 +1   38.5782221 +1     7     3     1
  H     1.01997148 +1  104.9437042 +1   91.0511196 +1    12    10     1
  H     1.01999309 +1  104.3650321 +1  -92.3069843 +1    14    11     1
  H     1.00568818 +1  124.4144011 +1  175.2527069 +1    16    13    10
  H     1.01896811 +1  120.2840364 +1 -177.5053377 +1    16    13    25
  H     1.01928513 +1  120.1143431 +1    1.8511687 +1    17    15    11
  H     1.00506251 +1  124.4106845 +1  174.4123155 +1    17    15    27
  H     1.01853540 +1   92.8385943 +1 -172.7974561 +1     4     3    18