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[(1,2,5,6-η)-Cyclo­octa-1,5-diene](1-ethyl-4-isopropyl-1,2,4-triazol-5-yl­idene)(tri­phenylphos­phane)iridium(I) tetra­fluorido­borate di­chloro­methane sesquisolvate

The synthesis and crystal structure of a new triazole-based N-heterocyclic carbene iridium(I) cationic complex with a tetra­fluorido­borate counter-anion and solvating di­chloro­methane, [Ir(C(8)H(12))(C(7)H(13)N(3))(C(18)H(15)P)]BF(4)·1.5CH(2)Cl(2), is reported. The Ir(I) center of the cationic com...

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Autores principales: Maynard, Aaron, Gau, Michael, Albert, Daniel R., Rajaseelan, Edward
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2023
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10626851/
https://www.ncbi.nlm.nih.gov/pubmed/37936590
http://dx.doi.org/10.1107/S2414314623009033
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author Maynard, Aaron
Gau, Michael
Albert, Daniel R.
Rajaseelan, Edward
author_facet Maynard, Aaron
Gau, Michael
Albert, Daniel R.
Rajaseelan, Edward
author_sort Maynard, Aaron
collection PubMed
description The synthesis and crystal structure of a new triazole-based N-heterocyclic carbene iridium(I) cationic complex with a tetra­fluorido­borate counter-anion and solvating di­chloro­methane, [Ir(C(8)H(12))(C(7)H(13)N(3))(C(18)H(15)P)]BF(4)·1.5CH(2)Cl(2), is reported. The Ir(I) center of the cationic complex has a distorted square-planar conformation, formed by a bidentate cyclo­octa-1,5-diene (COD) ligand, an N-heterocyclic carbene, and a triphenylphosphane ligand. There are weak hydrogen-bonding inter­actions between C—H groupings of the iridium complex and F atoms of the [BF(4)](−) counter-ions. The atoms of the COD ligand are disordered over two sets of sites in a 0.65:0.35 ratio and two of the F atoms of the anion are disordered over adjacent sites in a 0.6:0.4 ratio. One of the di­chloro­methane solvent mol­ecules is disordered about an inversion center with 0.5 occupancy. [Image: see text]
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spelling pubmed-106268512023-11-07 [(1,2,5,6-η)-Cyclo­octa-1,5-diene](1-ethyl-4-isopropyl-1,2,4-triazol-5-yl­idene)(tri­phenylphos­phane)iridium(I) tetra­fluorido­borate di­chloro­methane sesquisolvate Maynard, Aaron Gau, Michael Albert, Daniel R. Rajaseelan, Edward IUCrdata Data Reports The synthesis and crystal structure of a new triazole-based N-heterocyclic carbene iridium(I) cationic complex with a tetra­fluorido­borate counter-anion and solvating di­chloro­methane, [Ir(C(8)H(12))(C(7)H(13)N(3))(C(18)H(15)P)]BF(4)·1.5CH(2)Cl(2), is reported. The Ir(I) center of the cationic complex has a distorted square-planar conformation, formed by a bidentate cyclo­octa-1,5-diene (COD) ligand, an N-heterocyclic carbene, and a triphenylphosphane ligand. There are weak hydrogen-bonding inter­actions between C—H groupings of the iridium complex and F atoms of the [BF(4)](−) counter-ions. The atoms of the COD ligand are disordered over two sets of sites in a 0.65:0.35 ratio and two of the F atoms of the anion are disordered over adjacent sites in a 0.6:0.4 ratio. One of the di­chloro­methane solvent mol­ecules is disordered about an inversion center with 0.5 occupancy. [Image: see text] International Union of Crystallography 2023-10-19 /pmc/articles/PMC10626851/ /pubmed/37936590 http://dx.doi.org/10.1107/S2414314623009033 Text en © Maynard et al. 2023 https://creativecommons.org/licenses/by/4.0/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.
spellingShingle Data Reports
Maynard, Aaron
Gau, Michael
Albert, Daniel R.
Rajaseelan, Edward
[(1,2,5,6-η)-Cyclo­octa-1,5-diene](1-ethyl-4-isopropyl-1,2,4-triazol-5-yl­idene)(tri­phenylphos­phane)iridium(I) tetra­fluorido­borate di­chloro­methane sesquisolvate
title [(1,2,5,6-η)-Cyclo­octa-1,5-diene](1-ethyl-4-isopropyl-1,2,4-triazol-5-yl­idene)(tri­phenylphos­phane)iridium(I) tetra­fluorido­borate di­chloro­methane sesquisolvate
title_full [(1,2,5,6-η)-Cyclo­octa-1,5-diene](1-ethyl-4-isopropyl-1,2,4-triazol-5-yl­idene)(tri­phenylphos­phane)iridium(I) tetra­fluorido­borate di­chloro­methane sesquisolvate
title_fullStr [(1,2,5,6-η)-Cyclo­octa-1,5-diene](1-ethyl-4-isopropyl-1,2,4-triazol-5-yl­idene)(tri­phenylphos­phane)iridium(I) tetra­fluorido­borate di­chloro­methane sesquisolvate
title_full_unstemmed [(1,2,5,6-η)-Cyclo­octa-1,5-diene](1-ethyl-4-isopropyl-1,2,4-triazol-5-yl­idene)(tri­phenylphos­phane)iridium(I) tetra­fluorido­borate di­chloro­methane sesquisolvate
title_short [(1,2,5,6-η)-Cyclo­octa-1,5-diene](1-ethyl-4-isopropyl-1,2,4-triazol-5-yl­idene)(tri­phenylphos­phane)iridium(I) tetra­fluorido­borate di­chloro­methane sesquisolvate
title_sort [(1,2,5,6-η)-cyclo­octa-1,5-diene](1-ethyl-4-isopropyl-1,2,4-triazol-5-yl­idene)(tri­phenylphos­phane)iridium(i) tetra­fluorido­borate di­chloro­methane sesquisolvate
topic Data Reports
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10626851/
https://www.ncbi.nlm.nih.gov/pubmed/37936590
http://dx.doi.org/10.1107/S2414314623009033
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