[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....

Descripción completa

Detalles Bibliográficos
Autores principales: Yang, Yong, Wang, Ning, Chen, Lin
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2013
Materias:
Metal-Organic Papers
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
_version_ 1782268780963954688
author Yang, Yong
Wang, Ning
Chen, Lin
author_facet Yang, Yong
Wang, Ning
Chen, Lin
author_sort Yang, Yong
collection PubMed
description 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.
format Online
Article
Text
id pubmed-3647810
institution National Center for Biotechnology Information
language English
publishDate 2013
publisher International Union of Crystallography
record_format MEDLINE/PubMed
spelling pubmed-36478102013-05-30 [μ-3-(Methyl­sulfan­yl)benzene-1,2-di­thiol­ato-1:2κ(4) S,S′:S,S′]bis­[tri­carbonyl­iron(I)] Yang, Yong Wang, Ning Chen, Lin Acta Crystallogr Sect E Struct Rep Online Metal-Organic Papers 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. International Union of Crystallography 2013-04-13 /pmc/articles/PMC3647810/ /pubmed/23723776 http://dx.doi.org/10.1107/S1600536813009860 Text en © Yang et al. 2013 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
Yang, Yong
Wang, Ning
Chen, Lin
[μ-3-(Methyl­sulfan­yl)benzene-1,2-di­thiol­ato-1:2κ(4) S,S′:S,S′]bis­[tri­carbonyl­iron(I)]
title [μ-3-(Methyl­sulfan­yl)benzene-1,2-di­thiol­ato-1:2κ(4) S,S′:S,S′]bis­[tri­carbonyl­iron(I)]
title_full [μ-3-(Methyl­sulfan­yl)benzene-1,2-di­thiol­ato-1:2κ(4) S,S′:S,S′]bis­[tri­carbonyl­iron(I)]
title_fullStr [μ-3-(Methyl­sulfan­yl)benzene-1,2-di­thiol­ato-1:2κ(4) S,S′:S,S′]bis­[tri­carbonyl­iron(I)]
title_full_unstemmed [μ-3-(Methyl­sulfan­yl)benzene-1,2-di­thiol­ato-1:2κ(4) S,S′:S,S′]bis­[tri­carbonyl­iron(I)]
title_short [μ-3-(Methyl­sulfan­yl)benzene-1,2-di­thiol­ato-1:2κ(4) S,S′:S,S′]bis­[tri­carbonyl­iron(I)]
title_sort [μ-3-(methyl­sulfan­yl)benzene-1,2-di­thiol­ato-1:2κ(4) s,s′:s,s′]bis­[tri­carbonyl­iron(i)]
topic Metal-Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3647810/
https://www.ncbi.nlm.nih.gov/pubmed/23723776
http://dx.doi.org/10.1107/S1600536813009860
work_keys_str_mv AT yangyong m3methylsulfanylbenzene12dithiolato12k4ssssbistricarbonylironi
AT wangning m3methylsulfanylbenzene12dithiolato12k4ssssbistricarbonylironi
AT chenlin m3methylsulfanylbenzene12dithiolato12k4ssssbistricarbonylironi

Ejemplares similares