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trans-Dichloridobis{tris­[4-(trifluoro­methyl)phen­yl]phosphane-κP}palla­dium(II) dichloro­methane monosolvate

The title compound, [PdCl(2)(C(21)H(12)F(9)P)(2)]·CH(2)Cl(2), crystallizes with two independent complex molecules (each having the Pd(II) atom situated on an inversion centre) and a dichloro­methane molecule in the asymmetric unit. The independent Pd(II) atoms are in perfectly linear orientations of...

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Autores principales: Davis, Wade L., Muller, Alfred
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3588757/
https://www.ncbi.nlm.nih.gov/pubmed/23468722
http://dx.doi.org/10.1107/S1600536812046971
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author Davis, Wade L.
Muller, Alfred
author_facet Davis, Wade L.
Muller, Alfred
author_sort Davis, Wade L.
collection PubMed
description The title compound, [PdCl(2)(C(21)H(12)F(9)P)(2)]·CH(2)Cl(2), crystallizes with two independent complex molecules (each having the Pd(II) atom situated on an inversion centre) and a dichloro­methane molecule in the asymmetric unit. The independent Pd(II) atoms are in perfectly linear orientations of the ligands in mutually trans positions, but distortions of the Cl—Pd—P angles ranging from 86.151 (19) to 93.849 (19)° are evident. The effective cone angles for the tris­[4-(trifluoro­meth­yl)phen­yl]phosphane ligand were calculated to be 159 and 161°. In the crystal, weak C—H⋯Cl/F inter­actions create a three-dimensional supramolecular network. Loose packing at two of the –CF(3) groups resulted in large thermal vibrations which were treated as two-component disorders [occupancy ratios 0.50:0.50 and 0.628 (15):0.372 (15)].
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spelling pubmed-35887572013-03-06 trans-Dichloridobis{tris­[4-(trifluoro­methyl)phen­yl]phosphane-κP}palla­dium(II) dichloro­methane monosolvate Davis, Wade L. Muller, Alfred Acta Crystallogr Sect E Struct Rep Online Metal-Organic Papers The title compound, [PdCl(2)(C(21)H(12)F(9)P)(2)]·CH(2)Cl(2), crystallizes with two independent complex molecules (each having the Pd(II) atom situated on an inversion centre) and a dichloro­methane molecule in the asymmetric unit. The independent Pd(II) atoms are in perfectly linear orientations of the ligands in mutually trans positions, but distortions of the Cl—Pd—P angles ranging from 86.151 (19) to 93.849 (19)° are evident. The effective cone angles for the tris­[4-(trifluoro­meth­yl)phen­yl]phosphane ligand were calculated to be 159 and 161°. In the crystal, weak C—H⋯Cl/F inter­actions create a three-dimensional supramolecular network. Loose packing at two of the –CF(3) groups resulted in large thermal vibrations which were treated as two-component disorders [occupancy ratios 0.50:0.50 and 0.628 (15):0.372 (15)]. International Union of Crystallography 2012-11-24 /pmc/articles/PMC3588757/ /pubmed/23468722 http://dx.doi.org/10.1107/S1600536812046971 Text en © Davis and Muller 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
Davis, Wade L.
Muller, Alfred
trans-Dichloridobis{tris­[4-(trifluoro­methyl)phen­yl]phosphane-κP}palla­dium(II) dichloro­methane monosolvate
title trans-Dichloridobis{tris­[4-(trifluoro­methyl)phen­yl]phosphane-κP}palla­dium(II) dichloro­methane monosolvate
title_full trans-Dichloridobis{tris­[4-(trifluoro­methyl)phen­yl]phosphane-κP}palla­dium(II) dichloro­methane monosolvate
title_fullStr trans-Dichloridobis{tris­[4-(trifluoro­methyl)phen­yl]phosphane-κP}palla­dium(II) dichloro­methane monosolvate
title_full_unstemmed trans-Dichloridobis{tris­[4-(trifluoro­methyl)phen­yl]phosphane-κP}palla­dium(II) dichloro­methane monosolvate
title_short trans-Dichloridobis{tris­[4-(trifluoro­methyl)phen­yl]phosphane-κP}palla­dium(II) dichloro­methane monosolvate
title_sort trans-dichloridobis{tris­[4-(trifluoro­methyl)phen­yl]phosphane-κp}palla­dium(ii) dichloro­methane monosolvate
topic Metal-Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3588757/
https://www.ncbi.nlm.nih.gov/pubmed/23468722
http://dx.doi.org/10.1107/S1600536812046971
work_keys_str_mv AT daviswadel transdichloridobistris4trifluoromethylphenylphosphanekppalladiumiidichloromethanemonosolvate
AT mulleralfred transdichloridobistris4trifluoromethylphenylphosphanekppalladiumiidichloromethanemonosolvate