Accuracy
Co(III)N3Cl3 (AMPRCO) r
3500 Co(III)N3Cl3 (AMPRCO) (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)
UHF PM7
Co(III)N3Cl3 (AMPRCO)
<Co-Cl> <Co-Cl'><Cl-Co-Cl> <><><> <Co-N> GR=CCDC
Co 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
Cl 2.24305800 +1 0.0000000 +0 0.0000000 +0 1 0 0
Cl 2.30983300 +1 91.2090750 +1 0.0000000 +0 1 2 0
Cl 2.25152751 +1 94.7716629 +1 -179.3755672 +1 1 3 2
N 1.96656600 +1 91.9527331 +1 -83.8485205 +1 1 2 3
N 2.06713929 +1 89.7591861 +1 -96.7288231 +1 1 2 5
N 2.03275282 +1 91.2865482 +1 -96.4011743 +1 1 2 6
C 1.50439219 +1 120.7971935 +1 -61.0534139 +1 5 1 2
C 1.53202830 +1 109.7569610 +1 -51.3682798 +1 8 5 1
C 1.51010113 +1 114.5940195 +1 61.9865720 +1 6 1 2
C 1.51044813 +1 114.3509614 +1 -124.5978443 +1 6 1 10
C 1.53274817 +1 111.1250340 +1 -56.6793326 +1 11 6 1
C 1.49902803 +1 120.8601813 +1 63.6401909 +1 7 1 2
H 1.04521840 +1 102.1950020 +1 121.8120874 +1 5 1 8
H 1.03660364 +1 105.1734708 +1 112.1560001 +1 5 1 14
H 1.04449469 +1 101.6777715 +1 -117.6220882 +1 6 1 11
H 1.03942260 +1 101.1284444 +1 -122.0216083 +1 7 1 13
H 1.03197800 +1 103.9032979 +1 -112.0831712 +1 7 1 17
H 1.11744208 +1 107.5493225 +1 120.6719108 +1 8 5 9
H 1.11154445 +1 110.1737268 +1 116.9498360 +1 8 5 19
H 1.10865813 +1 109.7974005 +1 -164.6567208 +1 9 8 5
H 1.11160735 +1 110.3531298 +1 116.1559244 +1 9 8 21
H 1.11806119 +1 107.4962427 +1 -65.2535870 +1 10 6 1
H 1.11145997 +1 110.2186270 +1 -116.7049596 +1 10 6 23
H 1.11815591 +1 107.3913715 +1 121.0039382 +1 11 6 12
H 1.11147079 +1 110.1521092 +1 116.6424038 +1 11 6 25
H 1.10823829 +1 109.6726928 +1 -156.8719347 +1 12 11 6
H 1.11194763 +1 110.6797443 +1 116.2848839 +1 12 11 27
H 1.11698757 +1 107.6835864 +1 -71.8622381 +1 13 7 1
H 1.11175317 +1 110.4320582 +1 -117.1881556 +1 13 7 29