Accuracy
Mn(CO)3C5 (HEXMNC) r
3247 Mn(CO)3C5 (HEXMNC) (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)3C5 (HEXMNC)
<Mn-C(C5)> <><> <><><> <Mn-C(O)> GR=CCDC
Mn 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 2.15086400 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.41875762 +1 73.4144108 +1 0.0000000 +0 2 1 0
C 1.52407808 +1 118.3362976 +1 84.0884753 +1 3 2 1
C 1.78165500 +1 126.8455549 +1 21.8237124 +1 1 2 3
C 1.84211906 +1 88.2936624 +1 92.6265727 +1 1 2 5
H 2.22157625 +1 86.7521213 +1 149.6403704 +1 2 1 3
H 1.10211608 +1 125.5588590 +1 93.6109375 +1 2 1 7
H 1.09135738 +1 122.0262608 +1 160.3599140 +1 3 2 4
H 1.11030831 +1 111.4088038 +1 66.6856330 +1 4 3 2
H 1.10486675 +1 113.0390610 +1 119.0814323 +1 4 3 10
O 1.15455357 +1 150.2118463 +1 178.6929339 +1 5 2 1
O 1.15091998 +1 130.7696753 +1 -179.9510851 +1 6 2 1
C 2.17468997 +1 69.8499423 +1 146.2400469 +1 1 2 6
C 1.41682176 +1 73.0949437 +1 99.5722395 +1 14 1 2
C 1.84251689 +1 140.1885488 +1 -60.2676137 +1 1 2 14
H 1.10137163 +1 125.6116234 +1 116.7254576 +1 14 1 15
H 1.09150837 +1 121.9352917 +1 115.8036087 +1 15 14 1
O 1.15084791 +1 159.2557122 +1 178.2847120 +1 16 2 1
C 1.08976236 +1 33.8918288 +1 -49.1376939 +1 7 2 1