Acta Cryst. (2008). E64, m1423  [ doi:10.1107/S1600536808032698 ]

Pentacarbonyl-1²C,2³C-(ferrocenyldiphenylphosphine-1P)[-2-(4-methylphenyl)-2-azapropane-1,3-dithiolato-1:2⁴S,S':S,S']diiron(I)(Fe-Fe)

Y.-F. Tang and J.-L. Zhu

Abstract: The title compound, [Fe₂(C₉H₁₁NS₂){Fe(C₅H₅)(C₁₇H₁₄P)}(CO)₅], was prepared as an azadithiolato-iron model for the iron-only hydrogenase active site. The Fe₂S₂ unit exhibits a butterfly conformation and the ferrocenyldiphenylphosphine ligand is trans to the Fe-Fe bond. The Fe-Fe distance of 2.5160 (8) Å is longer than found in related model structures. Intramolecular C-HS and intermolecular C-HO hydrogen bonds are observed.

Online 18 October 2008

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