title: Redetermination of (η-s-cis-1,3-butadiene)tricarbonyl-iron(0).
abstract: 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 U(iso) values were refined freely.
authors: Institut für Anorganische Chemie und Strukturchemie, Lehrstuhl II: Material- und Strukturforschung, Heinrich-Heine-Universität Düsseldorf, Universitätsstrasse 1, D-40225 Düsseldorf, Germany.
authors: Guido J
authors: GJ
authors: Reiss
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