(4-Butyl-1-methyl-1,2,4-triazol-5-yl­idene)[(1,2,5,6-η)-cyclo­octa-1,5-diene](tri­phenyl­phosphane)iridium(I) tetra­fluorido­borate

A new triazole-based N-heterocyclic cationic carbene iridium(I) complex with a tetra­fluorido­borate counter-anion, [Ir(C(8)H(12))(C(7)H(13)N(3))(C(18)H(15)P)]BF(4), has been synthesized and structurally characterized. The Ir(I) atom of the cationic complex has an expected square-planar coordination...

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Autores principales: Castaldi, Kassandra T., Astashkin, Andrei V., Albert, Daniel R., Rajaseelan, Edward
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2021
Materias:
Data Reports
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9462289/
https://www.ncbi.nlm.nih.gov/pubmed/36337466
http://dx.doi.org/10.1107/S2414314621011421
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author Castaldi, Kassandra T.
Astashkin, Andrei V.
Albert, Daniel R.
Rajaseelan, Edward
author_facet Castaldi, Kassandra T.
Astashkin, Andrei V.
Albert, Daniel R.
Rajaseelan, Edward
author_sort Castaldi, Kassandra T.
collection PubMed
description A new triazole-based N-heterocyclic cationic carbene iridium(I) complex with a tetra­fluorido­borate counter-anion, [Ir(C(8)H(12))(C(7)H(13)N(3))(C(18)H(15)P)]BF(4), has been synthesized and structurally characterized. The Ir(I) atom of the cationic complex has an expected square-planar coordination environment with unexceptional bond lengths. There are several close F⋯H contacts between the cations and the anions in the range 2.36–2.58 Å, stabilizing the orientation of the out-sphere [BF(4) (−)] counter-anion. In the crystal, C—H⋯π(ring) inter­actions are observed that orient the phenyl rings of the tri­phenyl­phosphane ligands. [Image: see text]
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spelling pubmed-94622892022-11-04 (4-Butyl-1-methyl-1,2,4-triazol-5-yl­idene)[(1,2,5,6-η)-cyclo­octa-1,5-diene](tri­phenyl­phosphane)iridium(I) tetra­fluorido­borate Castaldi, Kassandra T. Astashkin, Andrei V. Albert, Daniel R. Rajaseelan, Edward IUCrdata Data Reports A new triazole-based N-heterocyclic cationic carbene iridium(I) complex with a tetra­fluorido­borate counter-anion, [Ir(C(8)H(12))(C(7)H(13)N(3))(C(18)H(15)P)]BF(4), has been synthesized and structurally characterized. The Ir(I) atom of the cationic complex has an expected square-planar coordination environment with unexceptional bond lengths. There are several close F⋯H contacts between the cations and the anions in the range 2.36–2.58 Å, stabilizing the orientation of the out-sphere [BF(4) (−)] counter-anion. In the crystal, C—H⋯π(ring) inter­actions are observed that orient the phenyl rings of the tri­phenyl­phosphane ligands. [Image: see text] International Union of Crystallography 2021-11-04 /pmc/articles/PMC9462289/ /pubmed/36337466 http://dx.doi.org/10.1107/S2414314621011421 Text en © Castaldi et al. 2021 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
Castaldi, Kassandra T.
Astashkin, Andrei V.
Albert, Daniel R.
Rajaseelan, Edward
(4-Butyl-1-methyl-1,2,4-triazol-5-yl­idene)[(1,2,5,6-η)-cyclo­octa-1,5-diene](tri­phenyl­phosphane)iridium(I) tetra­fluorido­borate
title (4-Butyl-1-methyl-1,2,4-triazol-5-yl­idene)[(1,2,5,6-η)-cyclo­octa-1,5-diene](tri­phenyl­phosphane)iridium(I) tetra­fluorido­borate
title_full (4-Butyl-1-methyl-1,2,4-triazol-5-yl­idene)[(1,2,5,6-η)-cyclo­octa-1,5-diene](tri­phenyl­phosphane)iridium(I) tetra­fluorido­borate
title_fullStr (4-Butyl-1-methyl-1,2,4-triazol-5-yl­idene)[(1,2,5,6-η)-cyclo­octa-1,5-diene](tri­phenyl­phosphane)iridium(I) tetra­fluorido­borate
title_full_unstemmed (4-Butyl-1-methyl-1,2,4-triazol-5-yl­idene)[(1,2,5,6-η)-cyclo­octa-1,5-diene](tri­phenyl­phosphane)iridium(I) tetra­fluorido­borate
title_short (4-Butyl-1-methyl-1,2,4-triazol-5-yl­idene)[(1,2,5,6-η)-cyclo­octa-1,5-diene](tri­phenyl­phosphane)iridium(I) tetra­fluorido­borate
title_sort (4-butyl-1-methyl-1,2,4-triazol-5-yl­idene)[(1,2,5,6-η)-cyclo­octa-1,5-diene](tri­phenyl­phosphane)iridium(i) tetra­fluorido­borate
topic Data Reports
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9462289/
https://www.ncbi.nlm.nih.gov/pubmed/36337466
http://dx.doi.org/10.1107/S2414314621011421
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