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Crystal structure of [{FeCl(3)}(2)(μ-PC(H)P)(2)] [PC(H)P = 1,3-bis(2-diphenylphosphanylethyl)-3H-imidazol-1-ium] with an unknown solvent
The crystal structure of the title compound, bis{μ-1,3-bis[2-(diphenylphosphanyl)ethyl]-1H-imidazole-κ(2) P:P′}bis[trichloridoiron(III)], [Fe(2)Cl(6)(C(31)H(31)N(2)P(2))(2)] or [{FeCl(3)}(2)(μ-PC(H)P)(2)] (PC(H)P = C(31)H(31)N(2)P(2)), consists of dinuclear complexes that are located about...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2018
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Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6218919/ https://www.ncbi.nlm.nih.gov/pubmed/30443407 http://dx.doi.org/10.1107/S205698901801472X |
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author | Stucke, Nadja Näther, Christian Tuczek, Felix |
author_facet | Stucke, Nadja Näther, Christian Tuczek, Felix |
author_sort | Stucke, Nadja |
collection | PubMed |
description | The crystal structure of the title compound, bis{μ-1,3-bis[2-(diphenylphosphanyl)ethyl]-1H-imidazole-κ(2) P:P′}bis[trichloridoiron(III)], [Fe(2)Cl(6)(C(31)H(31)N(2)P(2))(2)] or [{FeCl(3)}(2)(μ-PC(H)P)(2)] (PC(H)P = C(31)H(31)N(2)P(2)), consists of dinuclear complexes that are located about centres of inversion. The Fe(III) cation is in a distorted trigonal–bipyramidal coordination with three chloride ligands located in the trigonal plane and two P atoms of symmetry-related PC(H)P ligands occupying the axial positions. Within the centrosymmetric complex, a pair of intramolecular C—H⋯Cl hydrogen bonds between aromatic CH groups and chloride ligands are found. Individual complexes are linked into layers parallel to ([Image: see text]01) by intermolecular C—H⋯Cl hydrogen bonds. No pronounced intermolecular interactions occur between these layers. This arrangement leaves space for disordered solvent molecules. Electron density associated with these additional solvent molecules was removed with the SQUEEZE procedure in PLATON [Spek (2015 ▸). Acta Cryst. C71, 9–18]. The given chemical formula and other crystal data do not take into account the unknown solvent molecule(s). |
format | Online Article Text |
id | pubmed-6218919 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2018 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-62189192018-11-15 Crystal structure of [{FeCl(3)}(2)(μ-PC(H)P)(2)] [PC(H)P = 1,3-bis(2-diphenylphosphanylethyl)-3H-imidazol-1-ium] with an unknown solvent Stucke, Nadja Näther, Christian Tuczek, Felix Acta Crystallogr E Crystallogr Commun Research Communications The crystal structure of the title compound, bis{μ-1,3-bis[2-(diphenylphosphanyl)ethyl]-1H-imidazole-κ(2) P:P′}bis[trichloridoiron(III)], [Fe(2)Cl(6)(C(31)H(31)N(2)P(2))(2)] or [{FeCl(3)}(2)(μ-PC(H)P)(2)] (PC(H)P = C(31)H(31)N(2)P(2)), consists of dinuclear complexes that are located about centres of inversion. The Fe(III) cation is in a distorted trigonal–bipyramidal coordination with three chloride ligands located in the trigonal plane and two P atoms of symmetry-related PC(H)P ligands occupying the axial positions. Within the centrosymmetric complex, a pair of intramolecular C—H⋯Cl hydrogen bonds between aromatic CH groups and chloride ligands are found. Individual complexes are linked into layers parallel to ([Image: see text]01) by intermolecular C—H⋯Cl hydrogen bonds. No pronounced intermolecular interactions occur between these layers. This arrangement leaves space for disordered solvent molecules. Electron density associated with these additional solvent molecules was removed with the SQUEEZE procedure in PLATON [Spek (2015 ▸). Acta Cryst. C71, 9–18]. The given chemical formula and other crystal data do not take into account the unknown solvent molecule(s). International Union of Crystallography 2018-10-31 /pmc/articles/PMC6218919/ /pubmed/30443407 http://dx.doi.org/10.1107/S205698901801472X Text en © Stucke et al. 2018 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.http://creativecommons.org/licenses/by/2.0/uk/ |
spellingShingle | Research Communications Stucke, Nadja Näther, Christian Tuczek, Felix Crystal structure of [{FeCl(3)}(2)(μ-PC(H)P)(2)] [PC(H)P = 1,3-bis(2-diphenylphosphanylethyl)-3H-imidazol-1-ium] with an unknown solvent |
title | Crystal structure of [{FeCl(3)}(2)(μ-PC(H)P)(2)] [PC(H)P = 1,3-bis(2-diphenylphosphanylethyl)-3H-imidazol-1-ium] with an unknown solvent |
title_full | Crystal structure of [{FeCl(3)}(2)(μ-PC(H)P)(2)] [PC(H)P = 1,3-bis(2-diphenylphosphanylethyl)-3H-imidazol-1-ium] with an unknown solvent |
title_fullStr | Crystal structure of [{FeCl(3)}(2)(μ-PC(H)P)(2)] [PC(H)P = 1,3-bis(2-diphenylphosphanylethyl)-3H-imidazol-1-ium] with an unknown solvent |
title_full_unstemmed | Crystal structure of [{FeCl(3)}(2)(μ-PC(H)P)(2)] [PC(H)P = 1,3-bis(2-diphenylphosphanylethyl)-3H-imidazol-1-ium] with an unknown solvent |
title_short | Crystal structure of [{FeCl(3)}(2)(μ-PC(H)P)(2)] [PC(H)P = 1,3-bis(2-diphenylphosphanylethyl)-3H-imidazol-1-ium] with an unknown solvent |
title_sort | crystal structure of [{fecl(3)}(2)(μ-pc(h)p)(2)] [pc(h)p = 1,3-bis(2-diphenylphosphanylethyl)-3h-imidazol-1-ium] with an unknown solvent |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6218919/ https://www.ncbi.nlm.nih.gov/pubmed/30443407 http://dx.doi.org/10.1107/S205698901801472X |
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