Accuracy
Mn(CO)2SCp (VALXAI) r
3286 Mn(CO)2SCp (VALXAI) (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
Mn(CO)2SCp (VALXAI)
<Mn-S> <Mn-C(O)><> <><><> <Mn-C(C4)> GR=CCDC
Mn 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
S 2.27460000 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.76726000 +1 89.4579469 +1 0.0000000 +0 1 2 0
C 1.83114124 +1 88.5273524 +1 91.5692387 +1 1 2 3
C 2.11940800 +1 147.9968228 +1 173.1100297 +1 1 2 4
H 1.08546453 +1 128.2912849 +1 112.3319788 +1 5 1 2
C 1.44985246 +1 72.3156827 +1 122.1069141 +1 5 1 6
H 1.08234654 +1 126.4483819 +1 -122.8997302 +1 7 5 1
C 1.45827736 +1 107.5501542 +1 -175.4798873 +1 7 5 8
H 1.07908481 +1 125.5878025 +1 175.7499406 +1 9 7 5
C 1.44262050 +1 107.8119196 +1 -173.4040283 +1 9 7 10
H 1.08208434 +1 125.2377404 +1 173.7237937 +1 11 9 7
C 1.44285363 +1 109.1583098 +1 -174.8435006 +1 11 9 12
H 1.07851640 +1 126.7983489 +1 173.6419162 +1 13 11 9
C 1.84758309 +1 110.4286245 +1 -172.0882587 +1 2 1 3
H 1.09617298 +1 109.0470418 +1 -175.3390525 +1 15 2 1
H 1.09695362 +1 109.8428618 +1 -117.2350568 +1 15 2 16
H 1.09245953 +1 114.6658925 +1 -121.6627514 +1 15 2 17
C 1.84723086 +1 110.2548873 +1 -106.9283535 +1 2 1 15
H 1.09778891 +1 109.5383037 +1 -69.6186535 +1 19 2 1
H 1.09249633 +1 114.7182029 +1 121.5130187 +1 19 2 20
H 1.09595564 +1 109.2043690 +1 121.3444177 +1 19 2 21
O 1.15918885 +1 128.4217314 +1 179.8460986 +1 3 2 1
O 1.15404841 +1 129.2826193 +1 -179.8890905 +1 4 2 1