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Redetermination of catena-poly[[chlorido­(thio­urea-κS)copper(I)]-μ-thio­urea-κ(2) S:S] at 100 K

The structure of the polymeric title compound, [CuCl(CH(4)N(2)S)(2)](n), has been redetermined to modern standards of precision with anisotropic refinement and location of the H atoms. The previous structure report [Spofford & Amma (1970 ▶). Acta Cryst. B26, 1474–1483] is generally confirmed to...

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Autor principal: Zouihri, Hafid
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3297225/
https://www.ncbi.nlm.nih.gov/pubmed/22412415
http://dx.doi.org/10.1107/S1600536812004448
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author Zouihri, Hafid
author_facet Zouihri, Hafid
author_sort Zouihri, Hafid
collection PubMed
description The structure of the polymeric title compound, [CuCl(CH(4)N(2)S)(2)](n), has been redetermined to modern standards of precision with anisotropic refinement and location of the H atoms. The previous structure report [Spofford & Amma (1970 ▶). Acta Cryst. B26, 1474–1483] is generally confirmed to higher precision [typical Cu—S bond length s.u. values = 0.005 (old) and 0.001 Å (new)]. The asymmetric unit contains two formula units, with both Cu(I) atoms coordinated by one terminal S atom and two bridging S atoms of thio­urea ligands. This connectivity leads to polymeric [100] chains in the crystal. If very long contacts to nearby chloride ions [2.8687 (9) and 3.1394 (12) Å] are considered to be bonding, then very distorted CuS(3)Cl tetra­hedral coordination polyhedra arise. The crystal structure is consolidated by weak intra- and inter-chain N—H⋯S and N—H⋯Cl hydrogen bonds.
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spelling pubmed-32972252012-03-12 Redetermination of catena-poly[[chlorido­(thio­urea-κS)copper(I)]-μ-thio­urea-κ(2) S:S] at 100 K Zouihri, Hafid Acta Crystallogr Sect E Struct Rep Online Metal-Organic Papers The structure of the polymeric title compound, [CuCl(CH(4)N(2)S)(2)](n), has been redetermined to modern standards of precision with anisotropic refinement and location of the H atoms. The previous structure report [Spofford & Amma (1970 ▶). Acta Cryst. B26, 1474–1483] is generally confirmed to higher precision [typical Cu—S bond length s.u. values = 0.005 (old) and 0.001 Å (new)]. The asymmetric unit contains two formula units, with both Cu(I) atoms coordinated by one terminal S atom and two bridging S atoms of thio­urea ligands. This connectivity leads to polymeric [100] chains in the crystal. If very long contacts to nearby chloride ions [2.8687 (9) and 3.1394 (12) Å] are considered to be bonding, then very distorted CuS(3)Cl tetra­hedral coordination polyhedra arise. The crystal structure is consolidated by weak intra- and inter-chain N—H⋯S and N—H⋯Cl hydrogen bonds. International Union of Crystallography 2012-02-10 /pmc/articles/PMC3297225/ /pubmed/22412415 http://dx.doi.org/10.1107/S1600536812004448 Text en © Hafid Zouihri 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
Zouihri, Hafid
Redetermination of catena-poly[[chlorido­(thio­urea-κS)copper(I)]-μ-thio­urea-κ(2) S:S] at 100 K
title Redetermination of catena-poly[[chlorido­(thio­urea-κS)copper(I)]-μ-thio­urea-κ(2) S:S] at 100 K
title_full Redetermination of catena-poly[[chlorido­(thio­urea-κS)copper(I)]-μ-thio­urea-κ(2) S:S] at 100 K
title_fullStr Redetermination of catena-poly[[chlorido­(thio­urea-κS)copper(I)]-μ-thio­urea-κ(2) S:S] at 100 K
title_full_unstemmed Redetermination of catena-poly[[chlorido­(thio­urea-κS)copper(I)]-μ-thio­urea-κ(2) S:S] at 100 K
title_short Redetermination of catena-poly[[chlorido­(thio­urea-κS)copper(I)]-μ-thio­urea-κ(2) S:S] at 100 K
title_sort redetermination of catena-poly[[chlorido­(thio­urea-κs)copper(i)]-μ-thio­urea-κ(2) s:s] at 100 k
topic Metal-Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3297225/
https://www.ncbi.nlm.nih.gov/pubmed/22412415
http://dx.doi.org/10.1107/S1600536812004448
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