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Crystal structure of chlorido­(η(2)-phenyl iso­thio­cyanate-κ(2) C,S)-mer-tris­(tri­methyl­phosphane-κP)iridium(I)

The molecule of the title compound, [IrCl(C(7)H(5)NS)(C(3)H(9)P)(3)], is a distorted octa­hedral iridium complex with three PMe(3) ligands arranged in a meridional geometry, a chloride ion cis to all three PMe(3) groups and the phenyl iso­thio­cyanate ligand bonded in an η(2)-fashion through the C a...

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Autores principales: Merola, Joseph S., Grieb, Arthur W.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2014
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4257346/
https://www.ncbi.nlm.nih.gov/pubmed/25484743
http://dx.doi.org/10.1107/S160053681402162X
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author Merola, Joseph S.
Grieb, Arthur W.
author_facet Merola, Joseph S.
Grieb, Arthur W.
author_sort Merola, Joseph S.
collection PubMed
description The molecule of the title compound, [IrCl(C(7)H(5)NS)(C(3)H(9)P)(3)], is a distorted octa­hedral iridium complex with three PMe(3) ligands arranged in a meridional geometry, a chloride ion cis to all three PMe(3) groups and the phenyl iso­thio­cyanate ligand bonded in an η(2)-fashion through the C and S atoms. The C atom is trans to the chloride ion and the S atom is responsible for a significant deviation from an ideal octa­hedral geometry. The geometric parameters for the metal-complexing phenyl isothiocyanate group are compared with other metal-complexed phenyl iso­thio­cyanates, as well as with examples of uncomplexed aryl iso­thio­cyanates.
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spelling pubmed-42573462014-12-05 Crystal structure of chlorido­(η(2)-phenyl iso­thio­cyanate-κ(2) C,S)-mer-tris­(tri­methyl­phosphane-κP)iridium(I) Merola, Joseph S. Grieb, Arthur W. Acta Crystallogr Sect E Struct Rep Online Research Communications The molecule of the title compound, [IrCl(C(7)H(5)NS)(C(3)H(9)P)(3)], is a distorted octa­hedral iridium complex with three PMe(3) ligands arranged in a meridional geometry, a chloride ion cis to all three PMe(3) groups and the phenyl iso­thio­cyanate ligand bonded in an η(2)-fashion through the C and S atoms. The C atom is trans to the chloride ion and the S atom is responsible for a significant deviation from an ideal octa­hedral geometry. The geometric parameters for the metal-complexing phenyl isothiocyanate group are compared with other metal-complexed phenyl iso­thio­cyanates, as well as with examples of uncomplexed aryl iso­thio­cyanates. International Union of Crystallography 2014-10-18 /pmc/articles/PMC4257346/ /pubmed/25484743 http://dx.doi.org/10.1107/S160053681402162X Text en © Merola and Grieb 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
Merola, Joseph S.
Grieb, Arthur W.
Crystal structure of chlorido­(η(2)-phenyl iso­thio­cyanate-κ(2) C,S)-mer-tris­(tri­methyl­phosphane-κP)iridium(I)
title Crystal structure of chlorido­(η(2)-phenyl iso­thio­cyanate-κ(2) C,S)-mer-tris­(tri­methyl­phosphane-κP)iridium(I)
title_full Crystal structure of chlorido­(η(2)-phenyl iso­thio­cyanate-κ(2) C,S)-mer-tris­(tri­methyl­phosphane-κP)iridium(I)
title_fullStr Crystal structure of chlorido­(η(2)-phenyl iso­thio­cyanate-κ(2) C,S)-mer-tris­(tri­methyl­phosphane-κP)iridium(I)
title_full_unstemmed Crystal structure of chlorido­(η(2)-phenyl iso­thio­cyanate-κ(2) C,S)-mer-tris­(tri­methyl­phosphane-κP)iridium(I)
title_short Crystal structure of chlorido­(η(2)-phenyl iso­thio­cyanate-κ(2) C,S)-mer-tris­(tri­methyl­phosphane-κP)iridium(I)
title_sort crystal structure of chlorido­(η(2)-phenyl iso­thio­cyanate-κ(2) c,s)-mer-tris­(tri­methyl­phosphane-κp)iridium(i)
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4257346/
https://www.ncbi.nlm.nih.gov/pubmed/25484743
http://dx.doi.org/10.1107/S160053681402162X
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