Accuracy
zn(ii)n4i(plus) (znetam10) r
5939 Zn(II)N4I(+) (ZNETAM10) (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=1 PM7
Zn(II)N4I(+) (ZNETAM10)
<Zn-I> <Zn-N><N-Zn-I> GR=CCDC
Zn 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
I 2.58547000 +1 0.0000000 +0 0.0000000 +0 1 0 0
N 2.14330900 +1 111.1156480 +1 0.0000000 +0 1 2 0
C 2.95225196 +1 118.3162833 +1 160.2025949 +1 1 2 3
N 2.13195095 +1 107.1523161 +1 -59.6396507 +1 1 2 4
N 1.49289351 +1 44.9692350 +1 64.4432721 +1 4 1 2
N 2.14278507 +1 109.3136728 +1 170.7259305 +1 1 2 5
H 2.17868527 +1 87.2898954 +1 134.0098960 +1 6 4 1
H 1.77957680 +1 64.2827059 +1 168.4627468 +1 8 6 4
H 2.17683249 +1 134.0819387 +1 -127.0247530 +1 7 1 2
H 1.78335472 +1 64.4718861 +1 -44.1250862 +1 10 7 1
H 2.17899987 +1 134.2687572 +1 -108.6797919 +1 7 1 10
H 1.78260730 +1 64.0766753 +1 -73.9524397 +1 12 7 1
H 2.17683751 +1 134.2357553 +1 -123.0775246 +1 3 1 2
H 1.78456843 +1 64.2730033 +1 -52.1995422 +1 14 3 1
H 2.18977858 +1 99.9332261 +1 -149.3142336 +1 4 1 6
H 1.78654393 +1 66.2982271 +1 64.0729130 +1 16 4 1
H 1.11226252 +1 93.8433590 +1 -96.4248242 +1 4 1 16
H 1.11331314 +1 154.8927209 +1 -144.2971135 +1 4 1 18
H 1.01873993 +1 112.5666962 +1 -147.5837746 +1 5 1 2
H 1.02710948 +1 106.4383607 +1 109.6829076 +1 3 1 14
H 1.02602165 +1 109.0387862 +1 118.9259234 +1 5 1 20
H 1.03622221 +1 109.4065533 +1 109.9302028 +1 6 4 8
H 1.03560881 +1 108.6559093 +1 -138.1654534 +1 7 1 12
H 1.01859361 +1 115.9861141 +1 118.6219260 +1 3 1 21
C 1.11631086 +1 36.9343024 +1 37.7777006 +1 9 8 6
C 1.11753618 +1 36.8519653 +1 38.0096995 +1 13 12 7
C 1.11274871 +1 36.7700111 +1 38.2285643 +1 15 14 3
C 1.11749860 +1 36.6647519 +1 -39.0266776 +1 17 16 4
C 1.11326369 +1 39.3805144 +1 35.0622046 +1 10 7 11