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The crystal structure of the title compound, [Fe(C 4 H 6 )(CO) 3 ], was previously reported by Mills & Robinson [ Acta Cryst.  (1963)  ▶ ,  16 , 758–761]. The compound crystallizes in the centrosymmetric space goup  Pnma  with the complex located on a mirror plane. The redetermination of this structure at 100 K yielded almost equilibrated C—C bond lengths within the butadiene ligand according to a metal-to-ligand bonding–back-bonding mechanism. The C—C bond lengths presented herein are significantly shorter than those reported earlier. The H-atom positions that have not been reported so far were located by difference Fourier maps. The positional parameters of all H atoms and individual  Uiso  values were refined freely.

Redetermination of (η4-s-cis-1,3-butadiene)tricarbonyliron(0)

Redetermination of (η⁴-s-cis-1,3-butadiene)tricarbonyliron(0)