Accuracy
ca(ii)n6(2plus) (qakgal) r
2734 Ca(II)N6(2+) (QAKGAL) (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 PM7
Ca(II)N6(2+) (QAKGAL)
<Ca-N> GR=CCDC
Ca 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
N 2.45960600 +1 0.0000000 +0 0.0000000 +0 1 0 0
N 2.63087559 +1 179.6343697 +1 0.0000000 +0 1 2 0
H 1.02021635 +1 113.5245879 +1 1.2592923 +1 2 1 3
H 1.02019352 +1 113.6345832 +1 -119.9387282 +1 2 1 4
H 1.01522307 +1 112.7270826 +1 177.2405881 +1 3 1 4
H 1.01523433 +1 112.9686388 +1 119.9655588 +1 3 1 6
H 1.02016759 +1 113.6323522 +1 -120.1193279 +1 2 1 5
N 2.64734518 +1 91.2314357 +1 -37.3353234 +1 1 2 4
H 1.01502116 +1 113.0040672 +1 53.5236287 +1 9 1 2
H 1.01511336 +1 113.0662857 +1 -120.2821466 +1 9 1 10
H 1.01502407 +1 112.5065339 +1 -119.9524160 +1 9 1 11
N 2.64754008 +1 91.2572396 +1 90.0363206 +1 1 2 9
H 1.01506777 +1 113.0565202 +1 -41.4295542 +1 13 1 2
H 1.01495244 +1 112.6007595 +1 -119.8916286 +1 13 1 14
H 1.01507807 +1 112.9375350 +1 -119.9331362 +1 13 1 15
H 1.01516059 +1 112.8824760 +1 120.1753238 +1 3 1 7
N 2.64668873 +1 91.7376958 +1 90.0774183 +1 1 2 13
H 1.01503702 +1 112.5485506 +1 129.0189156 +1 18 1 2
H 1.01512784 +1 112.7958158 +1 119.7109449 +1 18 1 19
H 1.01500341 +1 113.2693797 +1 120.3276569 +1 18 1 20
N 2.64688940 +1 91.7389461 +1 89.7894750 +1 1 2 18
H 1.01504529 +1 112.4562592 +1 -138.7944812 +1 22 1 2
H 1.01501233 +1 113.3811280 +1 119.9981675 +1 22 1 23
H 1.01510578 +1 112.7675071 +1 120.3915601 +1 22 1 24