Acta Cryst. (2007). E63, m1959-m1960  [ doi:10.1107/S1600536807029431 ]

Pentacarbonyl-1²C,2³C-(diphenylphosphine-1P)(-2-propyl-2-azapropane-1,3-dithiolato-1²S,S':2²S,S')diiron(Fe-Fe)

Z. Wang, J.-H. Liu and L.-C. Sun

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 (-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 SS (3.625 Å) intermolecular nonbonded weak interactions.

Online 22 June 2007

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