[(1,2,5,6-η)-Cyclo­octa-1,5-diene](4-isopropyl-1-methyl-1,2,4-triazol-5-yl­idene)(tri­phenyl­phos­phane)iridium(I) tetra­fluorido­borate di­chloro­methane 0.8-solvate

A new triazole-based N-heterocyclic carbene iridium(I) cationic complex with a tetra­fluorido­borate counter-anion, [Ir(C(8)H(12))(C(18)H(15)P)(C(6)H(11)N(3))]BF(4)·0.8CH(2)Cl(2), has been synthesized and structurally characterized. The central Ir(I) atom of the cationic complex has a distorted squa...

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Autores principales: Smith, Troy E., Astashkin, Andrei V., Albert, Daniel R., Rajaseelan, Edward
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2023
Materias:
Data Reports
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9912321/
https://www.ncbi.nlm.nih.gov/pubmed/36794052
http://dx.doi.org/10.1107/S2414314623000640
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author Smith, Troy E.
Astashkin, Andrei V.
Albert, Daniel R.
Rajaseelan, Edward
author_facet Smith, Troy E.
Astashkin, Andrei V.
Albert, Daniel R.
Rajaseelan, Edward
author_sort Smith, Troy E.
collection PubMed
description A new triazole-based N-heterocyclic carbene iridium(I) cationic complex with a tetra­fluorido­borate counter-anion, [Ir(C(8)H(12))(C(18)H(15)P)(C(6)H(11)N(3))]BF(4)·0.8CH(2)Cl(2), has been synthesized and structurally characterized. The central Ir(I) atom of the cationic complex has a distorted square-planar coordination environment, formed by a bidentate cyclo­octa-1,5-diene (COD) ligand, an N-heterocyclic carbene, and a tri­phenyl­phosphane ligand. The crystal structure comprises C—H⋯π(ring) inter­actions that orient the phenyl rings; non-classical hydrogen-bonding inter­actions between the cationic complex and the tetra­fluorido­borate anion are also present. The complex crystallizes in a triclinic unit cell with two structural units and an incorporation of di­chloro­methane solvate mol­ecules with an occupancy of 0.8. [Image: see text]
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spelling pubmed-99123212023-02-14 [(1,2,5,6-η)-Cyclo­octa-1,5-diene](4-isopropyl-1-methyl-1,2,4-triazol-5-yl­idene)(tri­phenyl­phos­phane)iridium(I) tetra­fluorido­borate di­chloro­methane 0.8-solvate Smith, Troy E. Astashkin, Andrei V. Albert, Daniel R. Rajaseelan, Edward IUCrdata Data Reports A new triazole-based N-heterocyclic carbene iridium(I) cationic complex with a tetra­fluorido­borate counter-anion, [Ir(C(8)H(12))(C(18)H(15)P)(C(6)H(11)N(3))]BF(4)·0.8CH(2)Cl(2), has been synthesized and structurally characterized. The central Ir(I) atom of the cationic complex has a distorted square-planar coordination environment, formed by a bidentate cyclo­octa-1,5-diene (COD) ligand, an N-heterocyclic carbene, and a tri­phenyl­phosphane ligand. The crystal structure comprises C—H⋯π(ring) inter­actions that orient the phenyl rings; non-classical hydrogen-bonding inter­actions between the cationic complex and the tetra­fluorido­borate anion are also present. The complex crystallizes in a triclinic unit cell with two structural units and an incorporation of di­chloro­methane solvate mol­ecules with an occupancy of 0.8. [Image: see text] International Union of Crystallography 2023-01-31 /pmc/articles/PMC9912321/ /pubmed/36794052 http://dx.doi.org/10.1107/S2414314623000640 Text en © Smith 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
Smith, Troy E.
Astashkin, Andrei V.
Albert, Daniel R.
Rajaseelan, Edward
[(1,2,5,6-η)-Cyclo­octa-1,5-diene](4-isopropyl-1-methyl-1,2,4-triazol-5-yl­idene)(tri­phenyl­phos­phane)iridium(I) tetra­fluorido­borate di­chloro­methane 0.8-solvate
title [(1,2,5,6-η)-Cyclo­octa-1,5-diene](4-isopropyl-1-methyl-1,2,4-triazol-5-yl­idene)(tri­phenyl­phos­phane)iridium(I) tetra­fluorido­borate di­chloro­methane 0.8-solvate
title_full [(1,2,5,6-η)-Cyclo­octa-1,5-diene](4-isopropyl-1-methyl-1,2,4-triazol-5-yl­idene)(tri­phenyl­phos­phane)iridium(I) tetra­fluorido­borate di­chloro­methane 0.8-solvate
title_fullStr [(1,2,5,6-η)-Cyclo­octa-1,5-diene](4-isopropyl-1-methyl-1,2,4-triazol-5-yl­idene)(tri­phenyl­phos­phane)iridium(I) tetra­fluorido­borate di­chloro­methane 0.8-solvate
title_full_unstemmed [(1,2,5,6-η)-Cyclo­octa-1,5-diene](4-isopropyl-1-methyl-1,2,4-triazol-5-yl­idene)(tri­phenyl­phos­phane)iridium(I) tetra­fluorido­borate di­chloro­methane 0.8-solvate
title_short [(1,2,5,6-η)-Cyclo­octa-1,5-diene](4-isopropyl-1-methyl-1,2,4-triazol-5-yl­idene)(tri­phenyl­phos­phane)iridium(I) tetra­fluorido­borate di­chloro­methane 0.8-solvate
title_sort [(1,2,5,6-η)-cyclo­octa-1,5-diene](4-isopropyl-1-methyl-1,2,4-triazol-5-yl­idene)(tri­phenyl­phos­phane)iridium(i) tetra­fluorido­borate di­chloro­methane 0.8-solvate
topic Data Reports
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9912321/
https://www.ncbi.nlm.nih.gov/pubmed/36794052
http://dx.doi.org/10.1107/S2414314623000640
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AT albertdanielr 1256ēcycloocta15diene4isopropyl1methyl124triazol5ylidenetriphenylphosphaneiridiumitetrafluoridoboratedichloromethane08solvate
AT rajaseelanedward 1256ēcycloocta15diene4isopropyl1methyl124triazol5ylidenetriphenylphosphaneiridiumitetrafluoridoboratedichloromethane08solvate

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