Accuracy
Mn(CO)3Cp (CPMNCO) r
3246 Mn(CO)3Cp (CPMNCO) (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)3Cp (CPMNCO)
<Mn-C(O)> <><C-Mn-C> <Mn-C(ring)> GR=CCDC
Mn 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.79137300 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.83585430 +1 91.3900610 +1 0.0000000 +0 1 2 0
C 2.13867900 +1 155.5813315 +1 161.7057432 +1 1 2 3
C 1.46522961 +1 71.8186886 +1 17.1469866 +1 4 1 2
C 1.44071274 +1 107.6984911 +1 -61.0442511 +1 5 4 1
C 1.45779025 +1 108.4612581 +1 -0.8814545 +1 6 5 4
C 1.44852068 +1 72.0198732 +1 -116.5334000 +1 4 1 5
O 2.98782382 +1 91.6622625 +1 107.0147192 +1 1 2 4
O 1.15408773 +1 135.3276882 +1 179.8134430 +1 2 3 1
O 1.15084963 +1 136.2537658 +1 -179.8645104 +1 3 2 1
H 1.08290070 +1 129.3236878 +1 -122.2816621 +1 4 1 8
H 1.08229592 +1 125.6710121 +1 -175.1179341 +1 5 4 6
H 1.08424157 +1 126.0317313 +1 -175.2788564 +1 6 5 7
H 1.08094447 +1 125.7502226 +1 -174.3398569 +1 7 6 5
H 1.08440483 +1 125.9905886 +1 -123.4819943 +1 8 4 1
C 1.15084899 +1 30.4286970 +1 -0.0544949 +1 9 2 1