Crystal structure of poly[(μ3-thiocyanato-κ3N:S:S)(trimethylphosphine sulfide-κS)copper(I)]
In the title compound, [Cu(NCS)(C3H9PS)]n, the thiocyanate ions bind the CuI atoms covalently, forming infinite –Cu—SCN—Cu– chains parallel to the a axis. Each CuI atom is also coordinated to a trimethylphosphine sulfide group via a Cu—S bond. Two crystallographically independent chains propagate in...
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| Format: | Article |
| Language: | English |
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International Union of Crystallography
2014-11-01
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| Series: | Acta Crystallographica Section E |
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| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S1600536814021412 |
| _version_ | 1798019100195160064 |
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| author | Peter W. R. Corfield |
| author_facet | Peter W. R. Corfield |
| author_sort | Peter W. R. Corfield |
| collection | DOAJ |
| description | In the title compound, [Cu(NCS)(C3H9PS)]n, the thiocyanate ions bind the CuI atoms covalently, forming infinite –Cu—SCN—Cu– chains parallel to the a axis. Each CuI 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 CuI atoms in the first chain and thiocyanate S atoms in the second, with Cu—S = 2.621 (1) Å. The geometry around the CuI 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 CuI 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 CuI 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 CuI 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. |
| first_indexed | 2024-04-11T16:35:10Z |
| format | Article |
| id | doaj.art-c61701606369400eb4b30df4d455adfa |
| institution | Directory Open Access Journal |
| issn | 1600-5368 |
| language | English |
| last_indexed | 2024-04-11T16:35:10Z |
| publishDate | 2014-11-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | Acta Crystallographica Section E |
| spelling | doaj.art-c61701606369400eb4b30df4d455adfa2022-12-22T04:13:52ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682014-11-01701128128510.1107/S1600536814021412pk2530Crystal structure of poly[(μ3-thiocyanato-κ3N:S:S)(trimethylphosphine sulfide-κS)copper(I)]Peter W. R. Corfield0Department of Chemistry, Fordham University, 441 East Fordham Road, Bronx, NY 10458, USAIn the title compound, [Cu(NCS)(C3H9PS)]n, the thiocyanate ions bind the CuI atoms covalently, forming infinite –Cu—SCN—Cu– chains parallel to the a axis. Each CuI 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 CuI atoms in the first chain and thiocyanate S atoms in the second, with Cu—S = 2.621 (1) Å. The geometry around the CuI 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 CuI 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 CuI 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 CuI 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.http://scripts.iucr.org/cgi-bin/paper?S1600536814021412crystal structurephosphine sulfidethiocyanatecoordination polymercopper(I) complex |
| spellingShingle | Peter W. R. Corfield Crystal structure of poly[(μ3-thiocyanato-κ3N:S:S)(trimethylphosphine sulfide-κS)copper(I)] Acta Crystallographica Section E crystal structure phosphine sulfide thiocyanate coordination polymer copper(I) complex |
| title | Crystal structure of poly[(μ3-thiocyanato-κ3N:S:S)(trimethylphosphine sulfide-κS)copper(I)] |
| title_full | Crystal structure of poly[(μ3-thiocyanato-κ3N:S:S)(trimethylphosphine sulfide-κS)copper(I)] |
| title_fullStr | Crystal structure of poly[(μ3-thiocyanato-κ3N:S:S)(trimethylphosphine sulfide-κS)copper(I)] |
| title_full_unstemmed | Crystal structure of poly[(μ3-thiocyanato-κ3N:S:S)(trimethylphosphine sulfide-κS)copper(I)] |
| title_short | Crystal structure of poly[(μ3-thiocyanato-κ3N:S:S)(trimethylphosphine sulfide-κS)copper(I)] |
| title_sort | crystal structure of poly μ3 thiocyanato κ3n s s trimethylphosphine sulfide κs copper i |
| topic | crystal structure phosphine sulfide thiocyanate coordination polymer copper(I) complex |
| url | http://scripts.iucr.org/cgi-bin/paper?S1600536814021412 |
| work_keys_str_mv | AT peterwrcorfield crystalstructureofpolym3thiocyanatok3nsstrimethylphosphinesulfidekscopperi |