{μ-2-[4-(Benzothia­zol-2-yl)benz­yl]-2-aza­propane-1,3-dithiol­ato-1:2κ(4) S,S′:S,S′}bis­[tricarbonyl­iron(I)]

The title compound, [Fe(2)(C(16)H(14)N(2)S(3))(CO)(6)], was prepared as the biomimetic model for the active site of iron-only hydrogenase. The structure is similar to the diiron subsite of the iron-only hydrogenase active site, and contains a diiron-aza­dithiol­ate moiety in which a boat six-membere...

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Detalles Bibliográficos
Autores principales: Gao, Shang, Duan, Qian, Jiang, Da-yong
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/PMC3297265/
https://www.ncbi.nlm.nih.gov/pubmed/22412455
http://dx.doi.org/10.1107/S1600536812006861
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author Gao, Shang
Duan, Qian
Jiang, Da-yong
author_facet Gao, Shang
Duan, Qian
Jiang, Da-yong
author_sort Gao, Shang
collection PubMed
description The title compound, [Fe(2)(C(16)H(14)N(2)S(3))(CO)(6)], was prepared as the biomimetic model for the active site of iron-only hydrogenase. The structure is similar to the diiron subsite of the iron-only hydrogenase active site, and contains a diiron-aza­dithiol­ate moiety in which a boat six-membered ring is fused with a chair six-membered ring. The substituted benzyl group attached to the bridging N atom resides in an equatorial position. The sum of the C—N—C angles around this N atom [331.9 (12)°] indicates sp (3) hybridization.
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spelling pubmed-32972652012-03-12 {μ-2-[4-(Benzothia­zol-2-yl)benz­yl]-2-aza­propane-1,3-dithiol­ato-1:2κ(4) S,S′:S,S′}bis­[tricarbonyl­iron(I)] Gao, Shang Duan, Qian Jiang, Da-yong Acta Crystallogr Sect E Struct Rep Online Metal-Organic Papers The title compound, [Fe(2)(C(16)H(14)N(2)S(3))(CO)(6)], was prepared as the biomimetic model for the active site of iron-only hydrogenase. The structure is similar to the diiron subsite of the iron-only hydrogenase active site, and contains a diiron-aza­dithiol­ate moiety in which a boat six-membered ring is fused with a chair six-membered ring. The substituted benzyl group attached to the bridging N atom resides in an equatorial position. The sum of the C—N—C angles around this N atom [331.9 (12)°] indicates sp (3) hybridization. International Union of Crystallography 2012-02-24 /pmc/articles/PMC3297265/ /pubmed/22412455 http://dx.doi.org/10.1107/S1600536812006861 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
Duan, Qian
Jiang, Da-yong
{μ-2-[4-(Benzothia­zol-2-yl)benz­yl]-2-aza­propane-1,3-dithiol­ato-1:2κ(4) S,S′:S,S′}bis­[tricarbonyl­iron(I)]
title {μ-2-[4-(Benzothia­zol-2-yl)benz­yl]-2-aza­propane-1,3-dithiol­ato-1:2κ(4) S,S′:S,S′}bis­[tricarbonyl­iron(I)]
title_full {μ-2-[4-(Benzothia­zol-2-yl)benz­yl]-2-aza­propane-1,3-dithiol­ato-1:2κ(4) S,S′:S,S′}bis­[tricarbonyl­iron(I)]
title_fullStr {μ-2-[4-(Benzothia­zol-2-yl)benz­yl]-2-aza­propane-1,3-dithiol­ato-1:2κ(4) S,S′:S,S′}bis­[tricarbonyl­iron(I)]
title_full_unstemmed {μ-2-[4-(Benzothia­zol-2-yl)benz­yl]-2-aza­propane-1,3-dithiol­ato-1:2κ(4) S,S′:S,S′}bis­[tricarbonyl­iron(I)]
title_short {μ-2-[4-(Benzothia­zol-2-yl)benz­yl]-2-aza­propane-1,3-dithiol­ato-1:2κ(4) S,S′:S,S′}bis­[tricarbonyl­iron(I)]
title_sort {μ-2-[4-(benzothia­zol-2-yl)benz­yl]-2-aza­propane-1,3-dithiol­ato-1:2κ(4) s,s′:s,s′}bis­[tricarbonyl­iron(i)]
topic Metal-Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3297265/
https://www.ncbi.nlm.nih.gov/pubmed/22412455
http://dx.doi.org/10.1107/S1600536812006861
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