Accuracy
Co(III)IS2Cp (GECVEP) r
5927 Co(III)IS2Cp (GECVEP) (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)IS2Cp (GECVEP)
<Co-S> <> <S-Co-S> <Co-I><I-Co-S><> <Co-C> GR=CCDC
S 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
Co 2.24933000 +1 0.0000000 +0 0.0000000 +0 1 0 0
S 2.29002692 +1 76.5422720 +1 0.0000000 +0 2 1 0
I 2.59777300 +1 95.5773550 +1 -84.6662097 +1 2 1 3
C 2.03292300 +1 125.0047638 +1 -97.5745405 +1 2 1 4
C 1.76263633 +1 87.7900342 +1 -6.8010466 +1 3 2 1
C 2.44171094 +1 96.1736156 +1 -169.0324224 +1 6 3 2
C 1.52670147 +1 105.8469821 +1 -77.2989095 +1 7 6 3
C 2.44239902 +1 158.0656812 +1 5.7050369 +1 6 3 7
C 1.52653788 +1 106.7831155 +1 -109.7327827 +1 9 6 3
C 1.46328495 +1 68.7748437 +1 -167.1486090 +1 5 2 1
C 1.44360757 +1 107.5885273 +1 59.4629447 +1 11 5 2
C 1.44550002 +1 108.7120850 +1 -1.4055859 +1 12 11 5
C 1.45972240 +1 107.4159340 +1 1.0803164 +1 13 12 11
H 1.12048784 +1 88.2363023 +1 110.8010537 +1 7 6 8
H 1.11468141 +1 132.7096814 +1 109.9233681 +1 7 6 15
H 1.09974294 +1 112.0776800 +1 31.3003952 +1 8 7 6
H 1.09848956 +1 110.6389112 +1 118.8727404 +1 8 7 17
H 1.09560083 +1 112.3126228 +1 120.2933517 +1 8 7 18
H 1.12008684 +1 87.7808393 +1 -110.7105310 +1 9 6 10
H 1.11492616 +1 132.0493345 +1 -109.2025908 +1 9 6 20
H 1.09979742 +1 111.9907468 +1 -31.0188390 +1 10 9 6
H 1.09839015 +1 110.6657928 +1 -118.8665859 +1 10 9 22
H 1.09569111 +1 112.3353709 +1 -120.2852376 +1 10 9 23
H 1.07649554 +1 131.2400660 +1 -118.8314081 +1 5 2 11
H 1.07441571 +1 125.3691486 +1 173.4237224 +1 11 5 12
H 1.07791369 +1 125.6726070 +1 177.2865264 +1 12 11 13
H 1.07219606 +1 126.4828199 +1 173.2513301 +1 13 12 14
H 1.07650593 +1 125.2001255 +1 174.5534259 +1 14 13 12
N 1.31203346 +1 127.1325768 +1 -3.3282397 +1 6 3 9