title: [μ-3-(Methyl-sulfan-yl)benzene-1,2-di-thiol-ato-1:2κ(4) S,S':S,S']bis-[tri-carbonyl-iron(I)].
abstract: The title compound, [Fe2(C7H6S3)(CO)6], was prepared as a biomimic for the active site of [FeFe]-hydrogenases. The central Fe2S2 core is in a butterfly conformation and each Fe(I) atom has a pseudo-square-pyramidal coordination by three O atoms and two S atoms. The Fe-Fe distance is 2.471 (2) Å and the dihedral angle between the two Fe-S-Fe planes is 78.96 (7)°. The least-squares plane through the -S(C7H6S)S- bridge nearly bis-ects the mol-ecular structure: except for the two Fe(CO)3 units, all atoms are in this plane with an average deviation from the plane of 0.028 (3) Å. In the crystal, the mol-ecules are linked into chains along [001] by C-H⋯π(arene) inter-actions.
authors.affiliation: State Key Laboratory of Fine Chemicals, Dalian University of Technology (DUT), Dalian 116024, People's Republic of China.
authors.forename: Yong
authors.initials: Y
authors.lastname: Yang
authors.forename: Ning
authors.initials: N
authors.lastname: Wang
authors.forename: Lin
authors.initials: L
authors.lastname: Chen