Bis{μ-[4-(1,3-benzothia­zol-2-yl)phen­yl]methane­thiol­ato-κ(4) S,S′:S,S′}bis­[tricarbonyl­iron(I)](Fe—Fe)

The title compound, [Fe(2)(C(14)H(10)NS(2))(2)(CO)(6)], was synthesized as a structural and biochemical model for the active site of [FeFe]-hydrogenase. The bond lengths (Fe—Fe, Fe—S and Fe—C) and angles (C—Fe—Fe and Fe—S—Fe) are within expected ranges. The S⋯S distance [2.9069 (12) Å] and the dihed...

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Detalles Bibliográficos
Autores principales: Gao, Shang, Jiang, Da-yong, Liang, Qing-cheng, Duan, Qian
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
Materias:
Metal-Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3297275/
https://www.ncbi.nlm.nih.gov/pubmed/22412465
http://dx.doi.org/10.1107/S1600536812007581
Descripción
Sumario:The title compound, [Fe(2)(C(14)H(10)NS(2))(2)(CO)(6)], was synthesized as a structural and biochemical model for the active site of [FeFe]-hydrogenase. The bond lengths (Fe—Fe, Fe—S and Fe—C) and angles (C—Fe—Fe and Fe—S—Fe) are within expected ranges. The S⋯S distance [2.9069 (12) Å] and the dihedral angle between two Fe—S—Fe planes [78.5 (3)°] of the butterfly-shaped Fe(2)S(2) core are enlarged compared with related bridged dithiol­ate diiron analogues. The calculated 4-benzothia­zolebenzyl best planes are almost parallel [dihedral angle = 3.7 (7)°].

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