Accuracy

Co(III)N4CO (AMGXCO01) r   3466 Co(III)N4CO (AMGXCO01) (Geo)

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    #  Species Formula
  3456 Co(CO)4(-) (FUBYOQ) (Geo)C4O4Co
  3457 Co(CO)3NO (Geo)C3NO4Co
  3458 Co(III)O2N4(+) (OXENCO) (Geo)C6H14N4O4Co
  3459 Co(III)N4O2(+) (AETXCO) (Geo)C6H16N4O4Co
  3460 Co(III)N4O2(+) (AETXCO)C6H16N4O4Co
  3461 Co(III)O2N4(+) (OXENCO)C6H16N4O4Co
  3462 Co(III)N6(+) (NIXGEG) (Geo)C6H18N6O4Co
  3463 Co(III)N6(+) (NIXGEG)C6H18N6O4Co
  3464 Co(CO)5 cationC5O5Co
  3465 Co(CO)5 cation (Geo)C5O5Co
  3466 Co(III)N4CO (AMGXCO01) (Geo) C9H19N4O5Co
  3467 Co(III)N4CO (AMGXCO01)C9H19N4O5Co
  3468 Co(II)(H2O)6(2+) (NAZVOZ) (Geo)H12O6Co
  3469 Co(II)(H2O)6H12O6Co
  3470 Co(II)(H2O)6 (Geo)H12O6Co
  3471 Co(II)(Acac)3(-) (IKEYAY) (Geo)C15H21O6Co
  3472 Co(III)N4O2(+) (NITNCO) (Geo)C6H20N6O6Co
  3473 Co(III)N4O2(+) (NITNCO)C6H20N6O6Co
  3474 Co(III)(ox)3C6O12Co
  3475 Co(iii)(ox)3 (Geo)C6O12Co
  3476 Cobalt(I) fluoride (Geo)FCo


REF: The Cambridge Structural Database: a quarter of a million crystal structures and rising. F. H. Allen, Acta Cryst. B58, 380-388, (2002)
  
 UHF PM7
Co(III)N4CO (AMGXCO01)
 <Co-N> <> <N-Co-N> <Co-C><><> <Co-O> GR=CCDC
 Co     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  N     1.88767900 +1    0.0000000 +0    0.0000000 +0     1     0     0
  N     1.93983372 +1   81.9654970 +1    0.0000000 +0     1     2     0
  C     1.97700200 +1   93.2401312 +1   93.7210805 +1     1     2     3
  O     2.05519200 +1   86.3509554 +1 -179.1761621 +1     1     2     4
  O     2.91974956 +1  156.2929197 +1   69.1500876 +1     1     2     5
  N     1.96619992 +1  100.1778936 +1 -156.7245826 +1     1     2     6
  C     1.33161911 +1  117.4199528 +1    0.8365712 +1     2     1     3
  C     1.34999372 +1  117.2020746 +1  172.7142883 +1     7     1     2
  O     1.36137978 +1  124.3662267 +1  178.2294634 +1     2     1     8
  O     1.26537994 +1  121.2903220 +1 -175.5299221 +1     7     1     9
  C     1.48124852 +1  125.5141001 +1  179.5912906 +1     8     2     1
  C     1.47957289 +1  124.7804512 +1  179.6065542 +1     9     7     1
  H     1.07444697 +1  106.4125921 +1  -55.1710828 +1     4     1     2
  H     1.07400786 +1  106.1972933 +1 -119.7635668 +1     4     1    14
  H     1.07535631 +1  105.6209007 +1 -120.2087354 +1     4     1    15
  H     3.24526560 +1  136.7678315 +1   19.7099029 +1     3     1     2
  H     1.77439961 +1   54.5904945 +1 -170.0852020 +1    17     3     1
  H     1.77188042 +1   60.1932190 +1   90.2504533 +1    18    17     3
  H     2.90952896 +1  148.2117548 +1 -139.1393765 +1     9     7    13
  H     1.77293164 +1   93.6835203 +1  -72.0184311 +1    20     9     7
  H     1.77347273 +1   71.6495581 +1  -56.8579454 +1    20     9    21
  H     0.98031156 +1  105.3799148 +1  -99.4746702 +1     5     1     2
  H     0.98285074 +1  103.6326614 +1 -110.4721791 +1     5     1    23
  H     1.10229485 +1  111.2214292 +1  118.1561933 +1    12     8     2
  H     1.10126491 +1  111.4982584 +1  119.7824047 +1    12     8    25
  H     1.10339756 +1  112.1273310 +1  120.3228496 +1    12     8    26
  H     1.10058201 +1  111.5967832 +1 -115.5684663 +1    13     9     7
  H     1.09777931 +1  112.4331257 +1 -121.4284623 +1    13     9    28
  H     1.10654704 +1  110.7705184 +1 -119.9558242 +1    13     9    29
  H     1.10449330 +1   68.6184185 +1   21.5631941 +1     6     1     2
  H     1.07014591 +1  102.5202671 +1   -3.4097508 +1    10     2     1
  C     1.34396887 +1  114.8837975 +1  -21.4535024 +1     3     1    17
  C     1.46224326 +1  113.1285968 +1  -39.4742641 +1     9     7    20
  C     1.10621583 +1   36.3163202 +1  -38.0902358 +1    18    17    19
  C     1.10349417 +1   61.7664714 +1   38.2805349 +1    20     9    22
  N     1.33041744 +1  111.8047105 +1   -3.1333979 +1    34     9     7
  O     1.48613458 +1  166.9642135 +1  -24.0446237 +1    31     6     1