Cargando…
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...
Autores principales: | , |
---|---|
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 |
_version_ | 1783322442030120960 |
---|---|
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. |
format | Online Article Text |
id | pubmed-5947796 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2018 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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 |
work_keys_str_mv | AT rengan synthesisandcrystalstructureofdecacarbonylm337dithianonane19dithiolatobism2propane13dithiolatonickeliitetraironiidichloromethanedisolvate AT sangge synthesisandcrystalstructureofdecacarbonylm337dithianonane19dithiolatobism2propane13dithiolatonickeliitetraironiidichloromethanedisolvate |