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Bis{[2,2′-(5,8,11-trithia-2,14-diazapentadeca-1,14-diene-1,15-diyl)diphenolato]palladium(II)} acetonitrile monosolvate
The asymmetric unit of the title compound, [Pd(C(22)H(26)N(2)O(2)S(3))](2)·CH(3)CN, contains two complex molecules and a single uncoordinated lattice acetonitrile solvent molecule. The Pd(II) cations have a trans-N(2)O(2) square-planar geometry and the superposition of the two crystallographicall...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2013
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3772405/ https://www.ncbi.nlm.nih.gov/pubmed/24046548 http://dx.doi.org/10.1107/S1600536813014712 |
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author | Dawe, Louise Nicole Adhikary, Bibhutosh Collins, Julie L. Lucas, C. Robert |
author_facet | Dawe, Louise Nicole Adhikary, Bibhutosh Collins, Julie L. Lucas, C. Robert |
author_sort | Dawe, Louise Nicole |
collection | PubMed |
description | The asymmetric unit of the title compound, [Pd(C(22)H(26)N(2)O(2)S(3))](2)·CH(3)CN, contains two complex molecules and a single uncoordinated lattice acetonitrile solvent molecule. The Pd(II) cations have a trans-N(2)O(2) square-planar geometry and the superposition of the two crystallographically independent Pd(II) complexes yields an overall r.m.s. deviation of 0.292 Å. The Pd⋯Pd separation in the asymmetric unit is 3.3776 (3) Å, while the PdN(2)O(2) plane–plane fold angle is 1.62 (7)°. A short intermolecular S⋯S contact between the central S atom of one complex and its inversion-related symmetry equivalent of 3.663 (2) Å is observed. Part of the ligand chain (S—C—C—S) in each complex molecule is disordered over two orientations and refined occupancies that converged to 0.450 (10) and 0.550 (10) for the one complex molecule, and 0.789 (9) and 0.211 (9) for the other. |
format | Online Article Text |
id | pubmed-3772405 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2013 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-37724052013-09-17 Bis{[2,2′-(5,8,11-trithia-2,14-diazapentadeca-1,14-diene-1,15-diyl)diphenolato]palladium(II)} acetonitrile monosolvate Dawe, Louise Nicole Adhikary, Bibhutosh Collins, Julie L. Lucas, C. Robert Acta Crystallogr Sect E Struct Rep Online Metal-Organic Papers The asymmetric unit of the title compound, [Pd(C(22)H(26)N(2)O(2)S(3))](2)·CH(3)CN, contains two complex molecules and a single uncoordinated lattice acetonitrile solvent molecule. The Pd(II) cations have a trans-N(2)O(2) square-planar geometry and the superposition of the two crystallographically independent Pd(II) complexes yields an overall r.m.s. deviation of 0.292 Å. The Pd⋯Pd separation in the asymmetric unit is 3.3776 (3) Å, while the PdN(2)O(2) plane–plane fold angle is 1.62 (7)°. A short intermolecular S⋯S contact between the central S atom of one complex and its inversion-related symmetry equivalent of 3.663 (2) Å is observed. Part of the ligand chain (S—C—C—S) in each complex molecule is disordered over two orientations and refined occupancies that converged to 0.450 (10) and 0.550 (10) for the one complex molecule, and 0.789 (9) and 0.211 (9) for the other. International Union of Crystallography 2013-06-08 /pmc/articles/PMC3772405/ /pubmed/24046548 http://dx.doi.org/10.1107/S1600536813014712 Text en © Dawe et al. 2013 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 Dawe, Louise Nicole Adhikary, Bibhutosh Collins, Julie L. Lucas, C. Robert Bis{[2,2′-(5,8,11-trithia-2,14-diazapentadeca-1,14-diene-1,15-diyl)diphenolato]palladium(II)} acetonitrile monosolvate |
title | Bis{[2,2′-(5,8,11-trithia-2,14-diazapentadeca-1,14-diene-1,15-diyl)diphenolato]palladium(II)} acetonitrile monosolvate |
title_full | Bis{[2,2′-(5,8,11-trithia-2,14-diazapentadeca-1,14-diene-1,15-diyl)diphenolato]palladium(II)} acetonitrile monosolvate |
title_fullStr | Bis{[2,2′-(5,8,11-trithia-2,14-diazapentadeca-1,14-diene-1,15-diyl)diphenolato]palladium(II)} acetonitrile monosolvate |
title_full_unstemmed | Bis{[2,2′-(5,8,11-trithia-2,14-diazapentadeca-1,14-diene-1,15-diyl)diphenolato]palladium(II)} acetonitrile monosolvate |
title_short | Bis{[2,2′-(5,8,11-trithia-2,14-diazapentadeca-1,14-diene-1,15-diyl)diphenolato]palladium(II)} acetonitrile monosolvate |
title_sort | bis{[2,2′-(5,8,11-trithia-2,14-diazapentadeca-1,14-diene-1,15-diyl)diphenolato]palladium(ii)} acetonitrile monosolvate |
topic | Metal-Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3772405/ https://www.ncbi.nlm.nih.gov/pubmed/24046548 http://dx.doi.org/10.1107/S1600536813014712 |
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