Pentacarbonyl-1κ²C,2κ³C-(diphenylphosphine-1κP)(μ-2-propyl-2-azapropane-1,3-dithiolato-1κ²S,S′:2κ²S,S′)diiron(Fe—Fe)

Abstract

The title compound, [Fe2(C5H11NS2)(C12H11P)(CO)5], has been prepared and characterized as a model compound of the iron hydrogenase active site through controlled CO ligand displacement of (μ-SCH2)2N(CH2CH2CH3)[Fe2(CO)6] with diphenyl­phosphine. The central Fe2S2 structure is in a butterfly conformation, and each Fe atom displays pseudo-square-pyramidal geometry. The phosphine group occupies an apical position. The propyl group on the bridging N atom is in an equatorial position and takes a zigzag form. In the crystal packing, adjacent pairs of mol­ecules are associated by S⋯S (3.625 Å) inter­molecular nonbonded weak inter­actions.