Accuracy

Co(III)O2N4(plus) (OXENCO) r   3458 Co(III)O2N4(+) (OXENCO) (Geo)

(Previous)     (Back)     (Next)        

   

    #  Species Formula
  3448 Co(III)N6(3+) (COTENC01)C6H24N6Co
  3449 Co(II)N6(2+) (QICSOK) (Geo)C6H24N6Co
  3450 Co(II)N6(2+) (QICSOK)C6H24N6Co
  3451 Co(III)C3N3 (FEFRUD) (Geo)C9H15N6Co
  3452 Co(III)C3N3 (FEFRUD)C9H15N6Co
  3453 Co(III)N6(2+) (FAMYEX) (Geo)H15N6O2Co
  3454 Co(III)N6(2+) (FAMYEX)H15N6O2Co
  3455 Co(CO)4C4O4Co
  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


REF: The Cambridge Structural Database: a quarter of a million crystal structures and rising. F. H. Allen, Acta Cryst. B58, 380-388, (2002)
  
 CHARGE=1 UHF PM7
Co(III)O2N4(+) (OXENCO)
 <Co-N> <><N-Co-N> <Co-O> GR=CCDC
 Co     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  N     1.98215400 +1    0.0000000 +0    0.0000000 +0     1     0     0
  N     2.05390639 +1   86.0391850 +1    0.0000000 +0     1     2     0
  O     1.94140800 +1   85.5815121 +1  -79.9817016 +1     1     2     3
  O     1.80479266 +1  167.4153740 +1   49.8979494 +1     1     2     4
  C     1.36691010 +1  112.1137170 +1  -75.4910530 +1     5     1     2
  C     1.32346001 +1  109.9366215 +1 -166.6640871 +1     4     1     2
  N     2.03093597 +1  102.3973569 +1   93.9488224 +1     1     2     3
  N     1.77236243 +1   89.6125155 +1   86.3169305 +1     1     2     8
  O     1.19354083 +1  124.0994983 +1  168.5893379 +1     7     4     1
  O     1.18677694 +1  120.3349002 +1 -158.3614946 +1     6     5     1
  H     1.05033190 +1  103.7272234 +1  136.9364541 +1     2     1     3
  H     1.02541689 +1  115.2462647 +1  134.8167268 +1     3     1     2
  H     1.04633004 +1  102.4999848 +1  115.6247230 +1     3     1    13
  H     1.04580882 +1  100.9020819 +1 -165.3750084 +1     8     1     2
  H     1.01954130 +1  117.2988013 +1  116.3685275 +1     8     1    15
  H     2.14017094 +1   95.7010568 +1  -86.4015367 +1     2     1    12
  H     1.80555378 +1   66.6839622 +1 -146.7357458 +1    17     2     1
  H     2.14581893 +1  104.9875855 +1  147.1214758 +1     3     1    14
  H     1.78894507 +1   66.6867271 +1 -135.3661252 +1    19     3     1
  H     2.17923890 +1  130.9866481 +1  150.7109326 +1     8     1    16
  H     1.78780519 +1   64.8839947 +1  -83.5335952 +1    21     8     1
  H     2.09237021 +1  140.6825950 +1  -81.7097766 +1     9     1     2
  H     1.77771924 +1   63.9717439 +1  -91.4332951 +1    23     9     1
  H     1.02454599 +1  117.6638165 +1 -155.1184061 +1     2     1    17
  C     1.11790244 +1   36.5042094 +1   37.9082906 +1    20    19     3
  C     1.11139015 +1   40.4281633 +1   34.6658492 +1    21     8    22
  C     1.12142653 +1   39.8383396 +1   38.3045138 +1    23     9    24
  C     1.13058043 +1   42.4575342 +1   33.5470888 +1    17     2    18