Accuracy
Co(III)N6(3plus) (COTENC01) r
3447 Co(III)N6(3+) (COTENC01) (Geo)
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REF: The Cambridge Structural Database: a quarter of a million crystal structures and rising. F. H. Allen, Acta Cryst. B58, 380-388, (2002)
CHARGE=3 UHF PM7
Co(III)N6(3+) (COTENC01)
<Co-N> <> <N-Co-N> GR=CCDC
Co 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
N 2.00057900 +1 0.0000000 +0 0.0000000 +0 1 0 0
N 2.03074694 +1 90.1882940 +1 0.0000000 +0 1 2 0
N 2.04680457 +1 92.4519396 +1 90.7808446 +1 1 2 3
C 1.51917247 +1 109.3932434 +1 167.2851693 +1 4 1 2
C 1.52870252 +1 108.6954826 +1 36.9133880 +1 5 4 1
N 1.51800124 +1 108.5544680 +1 -48.3807088 +1 6 5 4
N 2.04976617 +1 89.6453308 +1 92.1100857 +1 1 2 4
C 1.51831744 +1 109.2914613 +1 77.6469534 +1 8 1 2
C 1.52882130 +1 108.4849780 +1 37.0640479 +1 9 8 1
N 1.51903773 +1 108.5935180 +1 -48.7939303 +1 10 9 8
H 2.15920228 +1 101.6073753 +1 -42.7974584 +1 2 1 3
H 1.78156386 +1 67.0608782 +1 136.2557598 +1 12 2 1
H 2.19822917 +1 130.7484396 +1 1.0000076 +1 3 1 2
H 1.78291915 +1 64.6692656 +1 -64.9104190 +1 14 3 1
H 1.03332699 +1 113.6790709 +1 -89.9544711 +1 2 1 12
H 1.03214129 +1 112.8745358 +1 106.0856564 +1 3 1 14
H 1.03275658 +1 111.1033436 +1 121.1270372 +1 4 1 5
H 1.12846614 +1 111.3019522 +1 122.0975514 +1 5 4 6
H 1.11637461 +1 109.0089434 +1 115.6331552 +1 5 4 19
H 1.11606966 +1 112.0472979 +1 120.5587640 +1 6 5 7
H 1.12863728 +1 110.5428806 +1 116.9838006 +1 6 5 21
H 1.03196513 +1 109.4760139 +1 160.3120415 +1 7 6 5
H 1.03247054 +1 110.5526089 +1 120.7670123 +1 8 1 9
H 1.12875251 +1 111.3790121 +1 121.9136863 +1 9 8 10
H 1.11587602 +1 109.1481110 +1 115.7235357 +1 9 8 25
H 1.11624102 +1 111.9711448 +1 120.4792740 +1 10 9 11
H 1.12850544 +1 110.6266139 +1 117.0670082 +1 10 9 27
H 1.03221829 +1 109.3712805 +1 159.4487220 +1 11 10 9
H 1.03397842 +1 112.8450952 +1 -120.2984333 +1 2 1 16
H 1.03160633 +1 113.4306744 +1 120.5078210 +1 3 1 17
H 1.03216782 +1 111.7550884 +1 117.6215870 +1 4 1 18
H 1.03241917 +1 109.6127801 +1 115.1940812 +1 7 6 23
H 1.03202717 +1 112.3034087 +1 117.4856292 +1 8 1 24
H 1.03271569 +1 109.6293500 +1 115.2770691 +1 11 10 29
C 1.12936542 +1 37.2397187 +1 -39.3633644 +1 13 12 2
C 1.12964067 +1 40.1487757 +1 36.3939273 +1 14 3 15