Accuracy
Co(III)SN2Cl3 (CATBAA) r
3502 Co(III)SN2Cl3 (CATBAA) (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)SN2Cl3 (CATBAA)
<Co-Cl> <><Cl-Co-Cl> <><><> <Co-N><><> <Co-S> GR=CCDC
Co 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
Cl 2.28331100 +1 0.0000000 +0 0.0000000 +0 1 0 0
Cl 2.21670388 +1 91.7266660 +1 0.0000000 +0 1 2 0
Cl 2.22535927 +1 96.2843266 +1 96.5827323 +1 1 2 3
N 1.93406800 +1 85.0098636 +1 179.4144363 +1 1 4 2
S 2.21567800 +1 89.1993426 +1 -92.4680017 +1 1 2 3
C 1.86348288 +1 99.0418216 +1 -178.9754546 +1 6 1 2
C 1.85431974 +1 99.5947772 +1 104.0706618 +1 6 1 7
C 1.52562372 +1 112.0623802 +1 -30.7227379 +1 8 6 1
N 1.50556267 +1 109.4615167 +1 42.6532322 +1 9 8 6
H 1.05044473 +1 104.0802378 +1 -130.3376514 +1 5 1 10
H 1.02647619 +1 111.2631189 +1 114.9861271 +1 5 1 11
H 2.18835540 +1 135.8095312 +1 -17.6833533 +1 7 6 1
H 1.79312810 +1 65.8890385 +1 -50.2587458 +1 13 7 6
H 1.10827677 +1 107.7754813 +1 -127.3085732 +1 7 6 13
H 1.09925365 +1 111.6038545 +1 -116.3422834 +1 7 6 15
H 1.10177477 +1 111.0079464 +1 -125.6263813 +1 8 6 9
H 1.11614724 +1 104.7532194 +1 -114.0432461 +1 8 6 17
H 1.11120406 +1 111.5008838 +1 -120.1986758 +1 9 8 10
H 1.11537653 +1 110.2755950 +1 -118.3119600 +1 9 8 19
H 1.02629097 +1 111.9067408 +1 -162.4932085 +1 10 9 8
H 1.04604285 +1 110.8328454 +1 -119.2670369 +1 10 9 21
C 1.11082943 +1 40.4478924 +1 34.2886066 +1 13 7 14