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Crystal structure of poly[(μ(3)-thio­cyanato-κ(3) N:S:S)(tri­methyl­phosphine sulfide-κS)copper(I)]

In the title compound, [Cu(NCS)(C(3)H(9)PS)](n), the thio­cyanate ions bind the Cu(I) atoms covalently, forming infinite –Cu—SCN—Cu– chains parallel to the a axis. Each Cu(I) atom is also coordinated to a tri­methyl­phosphine sulfide group via a Cu—S bond. Two crystallographically independent chains...

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Autor principal: Corfield, Peter W. R.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2014
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4257289/
https://www.ncbi.nlm.nih.gov/pubmed/25484723
http://dx.doi.org/10.1107/S1600536814021412
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author Corfield, Peter W. R.
author_facet Corfield, Peter W. R.
author_sort Corfield, Peter W. R.
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description In the title compound, [Cu(NCS)(C(3)H(9)PS)](n), the thio­cyanate ions bind the Cu(I) atoms covalently, forming infinite –Cu—SCN—Cu– chains parallel to the a axis. Each Cu(I) atom is also coordinated to a tri­methyl­phosphine sulfide group via a Cu—S bond. Two crystallographically independent chains propagate in opposite directions, and are held together in a ribbon arrangement by long bonds between Cu(I) atoms in the first chain and thio­cyanate S atoms in the second, with Cu—S = 2.621 (1) Å. The geometry around the Cu(I) atoms in the first chain is distorted tetra­hedral, with angles involving the long Cu—S bond much less than ideal, and the S—Cu—N angle between the phosphine sulfide S atom and the thio­cyanate N atom opening out to 133.19 (9)°. Each Cu(I) atom in the second chain appears to be disordered between two positions 0.524 (4) Å apart, with occupancy factors of 0.647 (6) and 0.353 (6). The Cu(I) atom in the major site is in a distorted trigonal–planar configuration, with the S—Cu—N angle between the phosphine sulfide and the thio­cyanate N atom again opened out, to 137.01 (15)°. The Cu(I) atom in the minor site, however, forms in addition a long bond [Cu—S = 2.702 (5) Å] to the phosphine sulfide of the first chain, not the thio­cyanate S atom, to provide a further link between the chains.
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spelling pubmed-42572892014-12-05 Crystal structure of poly[(μ(3)-thio­cyanato-κ(3) N:S:S)(tri­methyl­phosphine sulfide-κS)copper(I)] Corfield, Peter W. R. Acta Crystallogr Sect E Struct Rep Online Research Communications In the title compound, [Cu(NCS)(C(3)H(9)PS)](n), the thio­cyanate ions bind the Cu(I) atoms covalently, forming infinite –Cu—SCN—Cu– chains parallel to the a axis. Each Cu(I) atom is also coordinated to a tri­methyl­phosphine sulfide group via a Cu—S bond. Two crystallographically independent chains propagate in opposite directions, and are held together in a ribbon arrangement by long bonds between Cu(I) atoms in the first chain and thio­cyanate S atoms in the second, with Cu—S = 2.621 (1) Å. The geometry around the Cu(I) atoms in the first chain is distorted tetra­hedral, with angles involving the long Cu—S bond much less than ideal, and the S—Cu—N angle between the phosphine sulfide S atom and the thio­cyanate N atom opening out to 133.19 (9)°. Each Cu(I) atom in the second chain appears to be disordered between two positions 0.524 (4) Å apart, with occupancy factors of 0.647 (6) and 0.353 (6). The Cu(I) atom in the major site is in a distorted trigonal–planar configuration, with the S—Cu—N angle between the phosphine sulfide and the thio­cyanate N atom again opened out, to 137.01 (15)°. The Cu(I) atom in the minor site, however, forms in addition a long bond [Cu—S = 2.702 (5) Å] to the phosphine sulfide of the first chain, not the thio­cyanate S atom, to provide a further link between the chains. International Union of Crystallography 2014-10-04 /pmc/articles/PMC4257289/ /pubmed/25484723 http://dx.doi.org/10.1107/S1600536814021412 Text en © Peter W. R. Corfield 2014 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 Research Communications
Corfield, Peter W. R.
Crystal structure of poly[(μ(3)-thio­cyanato-κ(3) N:S:S)(tri­methyl­phosphine sulfide-κS)copper(I)]
title Crystal structure of poly[(μ(3)-thio­cyanato-κ(3) N:S:S)(tri­methyl­phosphine sulfide-κS)copper(I)]
title_full Crystal structure of poly[(μ(3)-thio­cyanato-κ(3) N:S:S)(tri­methyl­phosphine sulfide-κS)copper(I)]
title_fullStr Crystal structure of poly[(μ(3)-thio­cyanato-κ(3) N:S:S)(tri­methyl­phosphine sulfide-κS)copper(I)]
title_full_unstemmed Crystal structure of poly[(μ(3)-thio­cyanato-κ(3) N:S:S)(tri­methyl­phosphine sulfide-κS)copper(I)]
title_short Crystal structure of poly[(μ(3)-thio­cyanato-κ(3) N:S:S)(tri­methyl­phosphine sulfide-κS)copper(I)]
title_sort crystal structure of poly[(μ(3)-thio­cyanato-κ(3) n:s:s)(tri­methyl­phosphine sulfide-κs)copper(i)]
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4257289/
https://www.ncbi.nlm.nih.gov/pubmed/25484723
http://dx.doi.org/10.1107/S1600536814021412
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