The crystal structure determination of π-C 5H 5Fe(CO) 2Mn(CO) 5

Abstract

The crystal structure of π-C 5H 5Fe(CO) 2Mn(CO) 5, has been determined by single-crystal X-ray diffraction methods. Eight molecules crystal in a monoclinic unit cell with dimensions a = 7.220 ± 0.006, b = 30.387 ± 0.008, c = 12.498 ± 0.002 Å and γ = 90.21 ± 0.10°. The space group symmetry is P2 1/ b. Full matrix least-squares refinement with Fe and Mn atoms anisotropic, resulted in a final R value of 6.4% for 1201 “observed” reflections. The π-C 5H 5Fe(CO) 2Mn(CO) 5 molecules contain a MnFe bond of length 2.843 ± 0.004 Å and no bridging carbonyls. Both metal atoms may be envisioned as having distorted octahedral coordination. The isx sites about the iron atoms are occupied by two carbonyl groups, the manganese atom, and the cyclopentadienyl ring (which essentially occupies three sites); about the manganese atoms there are five carbonyl groups and the iron atom.