Accuracy
cd(ii)s2br2 (peksut) r
5394 Cd(II)S2Br2 (PEKSUT) (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)
PM7
Cd(II)S2Br2 (PEKSUT)
<Cd-Br> <><Br-Cd-Br> <Cd-S> GR=CCDC
Cd 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
Br 2.67388100 +1 0.0000000 +0 0.0000000 +0 1 0 0
Br 2.69449251 +1 102.7137460 +1 0.0000000 +0 1 2 0
S 2.52220900 +1 99.6106199 +1 101.0456143 +1 1 2 3
C 1.79391114 +1 91.4298618 +1 -52.2964946 +1 4 1 2
N 1.34935958 +1 119.8229514 +1 -92.2094389 +1 5 4 1
H 1.00611110 +1 122.8414878 +1 169.2319722 +1 6 5 4
H 1.01802937 +1 120.3280258 +1 -161.7490990 +1 6 5 7
N 1.35027586 +1 119.8608710 +1 -176.5806007 +1 5 4 6
H 1.00622169 +1 122.7554889 +1 -168.5134590 +1 9 5 4
H 1.01792493 +1 120.2595080 +1 160.9064366 +1 9 5 10
S 2.52429070 +1 99.6780183 +1 158.0269806 +1 1 2 4
C 1.79374413 +1 91.3671162 +1 52.7631440 +1 12 1 2
N 1.34920521 +1 119.8699335 +1 92.2198155 +1 13 12 1
H 1.00611289 +1 122.8487556 +1 -169.2768028 +1 14 13 12
H 1.01786124 +1 120.3552649 +1 161.9720774 +1 14 13 15
N 1.35041613 +1 119.8283783 +1 176.5960252 +1 13 12 14
H 1.00617920 +1 122.7476831 +1 168.6082866 +1 17 13 12
H 1.01792534 +1 120.2577941 +1 -160.9244768 +1 17 13 18