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
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author Gao, Shang
Jiang, Da-yong
Liang, Qing-cheng
Duan, Qian
author_facet Gao, Shang
Jiang, Da-yong
Liang, Qing-cheng
Duan, Qian
author_sort Gao, Shang
collection PubMed
description 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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spelling pubmed-32972752012-03-12 Bis{μ-[4-(1,3-benzothia­zol-2-yl)phen­yl]methane­thiol­ato-κ(4) S,S′:S,S′}bis­[tricarbonyl­iron(I)](Fe—Fe) Gao, Shang Jiang, Da-yong Liang, Qing-cheng Duan, Qian Acta Crystallogr Sect E Struct Rep Online Metal-Organic Papers 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)°]. International Union of Crystallography 2012-02-24 /pmc/articles/PMC3297275/ /pubmed/22412465 http://dx.doi.org/10.1107/S1600536812007581 Text en © Gao et al. 2012 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Metal-Organic Papers
Gao, Shang
Jiang, Da-yong
Liang, Qing-cheng
Duan, Qian
Bis{μ-[4-(1,3-benzothia­zol-2-yl)phen­yl]methane­thiol­ato-κ(4) S,S′:S,S′}bis­[tricarbonyl­iron(I)](Fe—Fe)
title Bis{μ-[4-(1,3-benzothia­zol-2-yl)phen­yl]methane­thiol­ato-κ(4) S,S′:S,S′}bis­[tricarbonyl­iron(I)](Fe—Fe)
title_full Bis{μ-[4-(1,3-benzothia­zol-2-yl)phen­yl]methane­thiol­ato-κ(4) S,S′:S,S′}bis­[tricarbonyl­iron(I)](Fe—Fe)
title_fullStr Bis{μ-[4-(1,3-benzothia­zol-2-yl)phen­yl]methane­thiol­ato-κ(4) S,S′:S,S′}bis­[tricarbonyl­iron(I)](Fe—Fe)
title_full_unstemmed Bis{μ-[4-(1,3-benzothia­zol-2-yl)phen­yl]methane­thiol­ato-κ(4) S,S′:S,S′}bis­[tricarbonyl­iron(I)](Fe—Fe)
title_short Bis{μ-[4-(1,3-benzothia­zol-2-yl)phen­yl]methane­thiol­ato-κ(4) S,S′:S,S′}bis­[tricarbonyl­iron(I)](Fe—Fe)
title_sort bis{μ-[4-(1,3-benzothia­zol-2-yl)phen­yl]methane­thiol­ato-κ(4) s,s′:s,s′}bis­[tricarbonyl­iron(i)](fe—fe)
topic Metal-Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3297275/
https://www.ncbi.nlm.nih.gov/pubmed/22412465
http://dx.doi.org/10.1107/S1600536812007581
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