Bis{μ-[4-(1,3-benzothiazol-2-yl)phenyl]methanethiolato-κ4S,S′:S,S′}bis[tricarbonyliron(I)](Fe—Fe)

Bis{μ-[4-(1,3-benzothiazol-2-yl)phenyl]methanethiolato-κ4S,S′:S,S′}bis[tricarbonyliron(I)](Fe—Fe)

The title compound, [Fe2(C14H10NS2)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&am...

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Bibliographic Details
Main Authors: Qian Duan, Qing-cheng Liang, Shang Gao, Da-yong Jiang
Format: Article
Language:English
Published: International Union of Crystallography 2012-03-01
Series:Acta Crystallographica Section E
Online Access:http://scripts.iucr.org/cgi-bin/paper?S1600536812007581
Description
Summary:The title compound, [Fe2(C14H10NS2)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 Fe2S2 core are enlarged compared with related bridged dithiolate diiron analogues. The calculated 4-benzothiazolebenzyl best planes are almost parallel [dihedral angle = 3.7 (7)°].
ISSN:1600-5368

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