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[μ-3-(Methyl­sulfan­yl)benzene-1,2-di­thiol­ato-1:2κ(4) S,S′:S,S′]bis­[tri­carbonyl­iron(I)]

The title compound, [Fe(2)(C(7)H(6)S(3))(CO)(6)], was prepared as a biomimic for the active site of [FeFe]-hydrogenases. The central Fe(2)S(2) 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....

Descripción completa

Detalles Bibliográficos
Autores principales: Yang, Yong, Wang, Ning, Chen, Lin
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2013
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3647810/
https://www.ncbi.nlm.nih.gov/pubmed/23723776
http://dx.doi.org/10.1107/S1600536813009860
Descripción
Sumario:The title compound, [Fe(2)(C(7)H(6)S(3))(CO)(6)], was prepared as a biomimic for the active site of [FeFe]-hydrogenases. The central Fe(2)S(2) 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(C(7)H(6)S)S– bridge nearly bis­ects the mol­ecular 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 mol­ecules are linked into chains along [001] by C—H⋯π(arene) inter­actions.