Accuracy

Co(III)C3N3 (FEFRUD) r   3451 Co(III)C3N3 (FEFRUD) (Geo)

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    #  Species Formula
  3441 Cobalt, atomCo
  3442 Bicyclopentadienyl cobaltC10H10Co
  3443 Co(II)Cp2 (DCYPCO) (Geo)C10H10Co
  3444 Co(II)Cp2 (DCYPCO)C10H10Co
  3445 Co(V)(CN)4 (Geo)C4N4Co
  3446 Co(II)(en)3 (Geo)C6H24N6Co
  3447 Co(III)N6(3+) (COTENC01) (Geo)C6H24N6Co
  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


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)C3N3 (FEFRUD)
 <Co-N> <><N-Co-N> <><><> <Co-C> GR=CCDC
 Co     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  N     2.00954200 +1    0.0000000 +0    0.0000000 +0     1     0     0
  N     2.12891361 +1   90.2463770 +1    0.0000000 +0     1     2     0
  N     2.13252379 +1   88.6040986 +1  -86.4213298 +1     1     2     3
  C     1.88748700 +1   86.6044654 +1 -176.3335731 +1     1     4     2
  C     1.73165834 +1   89.6338236 +1  174.9503215 +1     1     2     4
  C     1.73327690 +1   88.9299505 +1   96.5871394 +1     1     2     6
  N     1.16387158 +1  173.0092763 +1  131.1409959 +1     5     1     7
  N     1.17146729 +1  125.8912016 +1  173.0765393 +1     6     2     1
  N     1.17137303 +1  125.6567143 +1 -173.1089796 +1     7     2     1
  C     1.51688020 +1  119.7191095 +1   41.7913546 +1     2     1     3
  C     1.53845430 +1  110.3146958 +1  -60.5185566 +1    11     2     1
  C     1.50348574 +1  118.1708905 +1  -41.5557795 +1     3     1     2
  C     1.54034194 +1  109.9958001 +1  -64.1615432 +1    13     3     1
  C     1.50338164 +1  118.6811744 +1   43.7582076 +1     4     1     2
  C     1.53974092 +1  109.4362791 +1  -59.8066872 +1    15     4     1
  H     1.12528062 +1  107.9040810 +1 -118.1566117 +1    11     2    12
  H     1.10876738 +1  108.9184995 +1 -167.1374760 +1    12    11     2
  H     1.11047965 +1  109.9137694 +1  114.9628269 +1    12    11    18
  H     1.12492982 +1  108.8807332 +1 -118.6549795 +1    13     3    14
  H     1.11003471 +1  109.8706268 +1  -52.9534621 +1    14    13     3
  H     1.10873468 +1  108.9132548 +1 -114.8734014 +1    14    13    21
  H     1.12480181 +1  108.9030369 +1 -118.5533458 +1    15     4    16
  H     1.11012052 +1  109.8754101 +1  -53.8422195 +1    16    15     4
  H     1.10884222 +1  109.0234567 +1 -114.9382941 +1    16    15    24
  H     1.03336816 +1  105.1221817 +1  123.7494252 +1     2     1    11
  H     1.03373811 +1  104.8220860 +1  112.7059898 +1     2     1    26
  H     1.02581408 +1  102.8902212 +1 -123.3400581 +1     3     1    13
  H     1.02597523 +1  103.8107696 +1 -112.6591396 +1     3     1    28
  H     1.02588843 +1  102.3771917 +1  123.1923115 +1     4     1    15
  H     1.02562601 +1  103.8490981 +1  112.4662324 +1     4     1    30