Accuracy
Fe(CO)5 (FOJBOV) r
3367 Fe(CO)5 (FOJBOV) (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)
SYMMETRY PULAY PM7
Fe(CO)5 (FOJBOV)
<Fe-C(eq)> <Fe-C(ax)> GR=CCDC
Fe 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.80644700 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.81406700 +1 89.7302400 +0 0.0000000 +0 1 2 0
C 1.80644700 +0 118.4611960 +0 -90.0361060 +0 1 2 3
C 1.81406700 +0 90.7175310 +0 -91.2056880 +0 1 2 4
C 1.80644700 +0 120.6402150 +0 -89.6152270 +0 1 2 5
O 1.15635958 +1 134.5044006 +1 -179.9583429 +1 2 3 1
O 1.14827043 +1 135.0108160 +1 -179.6876854 +1 3 2 1
O 1.15639345 +1 149.1540161 +1 -179.6459619 +1 4 2 1
O 1.14836842 +1 135.6069883 +1 179.5537910 +1 5 2 1
O 1.15704054 +1 150.1957586 +1 179.7997351 +1 6 2 1
2 1 4 6
3 1 5