Accuracy
Ni(II)O6(2plus) (JERNID) r
3539 Ni(II)O6(2+) (JERNID) (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=2 UHF TRIPLET PM7
Ni(II)O6(2+) (JERNID)
<Ni-O> GR=CCDC
Ni 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
O 2.02945200 +1 0.0000000 +0 0.0000000 +0 1 0 0
O 1.87423916 +1 79.5722989 +1 0.0000000 +0 1 2 0
O 1.89061195 +1 82.6946883 +1 110.6258509 +1 1 2 3
O 1.89786610 +1 85.3163941 +1 158.0144961 +1 1 4 2
O 1.88107077 +1 110.3895140 +1 79.5730913 +1 1 2 4
O 1.88806991 +1 82.4583599 +1 79.7734779 +1 1 2 6
H 0.99554311 +1 113.4131924 +1 90.4249134 +1 2 1 3
H 0.99247703 +1 116.9483179 +1 116.9648565 +1 2 1 8
H 1.01273653 +1 107.9965362 +1 -73.6498090 +1 3 1 2
H 1.01548196 +1 107.6219827 +1 105.5735360 +1 3 1 10
H 1.00780703 +1 111.1212186 +1 -154.3851850 +1 4 1 2
H 1.00302860 +1 113.5167401 +1 111.9685037 +1 4 1 12
H 1.01059107 +1 109.2899524 +1 99.8903011 +1 5 1 7
H 1.00042966 +1 115.9013270 +1 -111.4944149 +1 5 1 14
H 1.01325827 +1 107.8732028 +1 -45.6700020 +1 6 1 2
H 1.01017438 +1 108.8639675 +1 -106.5406769 +1 6 1 16
H 1.00424010 +1 113.4536521 +1 161.1086648 +1 7 1 2
H 1.01325440 +1 108.2682867 +1 108.7549855 +1 7 1 18