Pentacarbonyl-1κ2C,2κ3C-(ferrocenyldiphenylphosphine-1κP)[μ-2-(4-methylphenyl)-2-azapropane-1,3-dithiolato-1:2κ4S,S′:S,S′]diiron(I)(Fe—Fe)

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—H...S and intermolecular C—H...O hydrogen bonds are observed.

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