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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....
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2013
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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 |
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. |
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