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) is longer than found in related model structures. Intramolecular C—H...S and intermolecular C—H...O hydrogen bonds are observed.