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Synthesis and crystal structure of deca­carbon­yl(μ(3)-3,7-di­thia­nonane-1,9-di­thiol­ato)bis­(μ(2)-propane-1,3-di­thiol­ato)nickel(II)tetra­iron(II) di­chloro­methane disolvate

The title compound,, [Fe(4)Ni(C(3)H(6)S(2))(2)(C(7)H(14)S(4))(CO)(10)]·2CH(2)Cl(2), is reported as a biomimic model for the active site of [FeFe]-hydrogenases. Bis(2-mercaptoeth­yl)-1,3-propane­dithio ether nickel(II) was firstly introduced into [Fe(2)(C(3)H(6)S(2))(CO)(5)] as an S-containing ligand...

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Autores principales: Ren, Gan, Sang, Ge
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2018
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5947796/
https://www.ncbi.nlm.nih.gov/pubmed/29765716
http://dx.doi.org/10.1107/S2056989018001731
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author Ren, Gan
Sang, Ge
author_facet Ren, Gan
Sang, Ge
author_sort Ren, Gan
collection PubMed
description The title compound,, [Fe(4)Ni(C(3)H(6)S(2))(2)(C(7)H(14)S(4))(CO)(10)]·2CH(2)Cl(2), is reported as a biomimic model for the active site of [FeFe]-hydrogenases. Bis(2-mercaptoeth­yl)-1,3-propane­dithio ether nickel(II) was firstly introduced into [Fe(2)(C(3)H(6)S(2))(CO)(5)] as an S-containing ligand. It coordinates with two [Fe(2)(C(3)H(6)S(2))(CO)(5)] groups, and a five-metal core complex is formed. The Fe(2)S(2) core is in a butterfly conformation. The Fe—Fe distances in the [Fe(2)(C(3)H(6)S(2))(CO)(5)] groups are 2.5126 (6) and 2.5086 (7) Å. The distances between the adjacent Fe and Ni atoms are 3.5322 (1) and 3.5143 (1) Å. There are intra­molecular C—H⋯O and C—H⋯S contacts present in the complex. In the crystal, the five metal cores are linked via C—H⋯O hydrogen bonds, forming columns lying parallel to (110). The di­chloro­methane solvent mol­ecules are each partially disordered over two positions and only one is linked to the five-metal core complex by a C—H⋯O hydrogen bond.
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spelling pubmed-59477962018-05-15 Synthesis and crystal structure of deca­carbon­yl(μ(3)-3,7-di­thia­nonane-1,9-di­thiol­ato)bis­(μ(2)-propane-1,3-di­thiol­ato)nickel(II)tetra­iron(II) di­chloro­methane disolvate Ren, Gan Sang, Ge Acta Crystallogr E Crystallogr Commun Research Communications The title compound,, [Fe(4)Ni(C(3)H(6)S(2))(2)(C(7)H(14)S(4))(CO)(10)]·2CH(2)Cl(2), is reported as a biomimic model for the active site of [FeFe]-hydrogenases. Bis(2-mercaptoeth­yl)-1,3-propane­dithio ether nickel(II) was firstly introduced into [Fe(2)(C(3)H(6)S(2))(CO)(5)] as an S-containing ligand. It coordinates with two [Fe(2)(C(3)H(6)S(2))(CO)(5)] groups, and a five-metal core complex is formed. The Fe(2)S(2) core is in a butterfly conformation. The Fe—Fe distances in the [Fe(2)(C(3)H(6)S(2))(CO)(5)] groups are 2.5126 (6) and 2.5086 (7) Å. The distances between the adjacent Fe and Ni atoms are 3.5322 (1) and 3.5143 (1) Å. There are intra­molecular C—H⋯O and C—H⋯S contacts present in the complex. In the crystal, the five metal cores are linked via C—H⋯O hydrogen bonds, forming columns lying parallel to (110). The di­chloro­methane solvent mol­ecules are each partially disordered over two positions and only one is linked to the five-metal core complex by a C—H⋯O hydrogen bond. International Union of Crystallography 2018-02-13 /pmc/articles/PMC5947796/ /pubmed/29765716 http://dx.doi.org/10.1107/S2056989018001731 Text en © Ren and Sang 2018 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.http://creativecommons.org/licenses/by/2.0/uk/
spellingShingle Research Communications
Ren, Gan
Sang, Ge
Synthesis and crystal structure of deca­carbon­yl(μ(3)-3,7-di­thia­nonane-1,9-di­thiol­ato)bis­(μ(2)-propane-1,3-di­thiol­ato)nickel(II)tetra­iron(II) di­chloro­methane disolvate
title Synthesis and crystal structure of deca­carbon­yl(μ(3)-3,7-di­thia­nonane-1,9-di­thiol­ato)bis­(μ(2)-propane-1,3-di­thiol­ato)nickel(II)tetra­iron(II) di­chloro­methane disolvate
title_full Synthesis and crystal structure of deca­carbon­yl(μ(3)-3,7-di­thia­nonane-1,9-di­thiol­ato)bis­(μ(2)-propane-1,3-di­thiol­ato)nickel(II)tetra­iron(II) di­chloro­methane disolvate
title_fullStr Synthesis and crystal structure of deca­carbon­yl(μ(3)-3,7-di­thia­nonane-1,9-di­thiol­ato)bis­(μ(2)-propane-1,3-di­thiol­ato)nickel(II)tetra­iron(II) di­chloro­methane disolvate
title_full_unstemmed Synthesis and crystal structure of deca­carbon­yl(μ(3)-3,7-di­thia­nonane-1,9-di­thiol­ato)bis­(μ(2)-propane-1,3-di­thiol­ato)nickel(II)tetra­iron(II) di­chloro­methane disolvate
title_short Synthesis and crystal structure of deca­carbon­yl(μ(3)-3,7-di­thia­nonane-1,9-di­thiol­ato)bis­(μ(2)-propane-1,3-di­thiol­ato)nickel(II)tetra­iron(II) di­chloro­methane disolvate
title_sort synthesis and crystal structure of deca­carbon­yl(μ(3)-3,7-di­thia­nonane-1,9-di­thiol­ato)bis­(μ(2)-propane-1,3-di­thiol­ato)nickel(ii)tetra­iron(ii) di­chloro­methane disolvate
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5947796/
https://www.ncbi.nlm.nih.gov/pubmed/29765716
http://dx.doi.org/10.1107/S2056989018001731
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