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Crystal structure of [1,1′′′-bis(pyrimidin-2-yl)-4,4′:2′,2′′:4′′,4′′′-quaterpyridine-1,1′′′-diium-κ(2) N (1′),N (1′′)]bis[2-(pyridin-2-yl)phenyl-κ(2) N,C (1)]iridium(III) tris(hexafluoridophosphate) acetonitrile trisolvate
In the title compound, [Ir(C(11)H(8)N)(2)(C(28)H(20)N(8))](PF(6))(3)·3CH(3)CN or [Ir(III)(ppy)(2){(2-pym)(2)qpy(2+)}](PF(6))(3)·3CH(3)CN (ppy = deprotonated 2-phenylpyridine, pym = pyrimidyl and qpy = 4,4′:2′,2′′:4′′,4′′′-quaterpyridyl), the Ir(3+) cation is coordinated by two C atoms and four N a...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2015
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4571346/ https://www.ncbi.nlm.nih.gov/pubmed/26396745 http://dx.doi.org/10.1107/S2056989015012463 |
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author | Coe, Benjamin J. Peers, Martyn K. Raftery, James Scrutton, Nigel S. |
author_facet | Coe, Benjamin J. Peers, Martyn K. Raftery, James Scrutton, Nigel S. |
author_sort | Coe, Benjamin J. |
collection | PubMed |
description | In the title compound, [Ir(C(11)H(8)N)(2)(C(28)H(20)N(8))](PF(6))(3)·3CH(3)CN or [Ir(III)(ppy)(2){(2-pym)(2)qpy(2+)}](PF(6))(3)·3CH(3)CN (ppy = deprotonated 2-phenylpyridine, pym = pyrimidyl and qpy = 4,4′:2′,2′′:4′′,4′′′-quaterpyridyl), the Ir(3+) cation is coordinated by two C atoms and four N atoms in a slightly distorted octahedral geometry. The asymmetric unit consists of one complex trication, three hexafluoridophosphate anions and three acetonitrile solvent molecules. The average Ir—C distance is 2.011 (14) Å, the average Ir—N(ppy) distance is 2.05 (6) Å and the average Ir—N(qpy) distance is longer at 2.132 (10) Å. The dihedral angles within the 4,4′-bipyridyl units are 31.5 (6) and 23.8 (7)°, while those between the 2-pym and attached pyridyl rings are rather smaller, at 11.7 (9) and 7.1 (9)°. The title compound was refined as a two-component inversion twin. |
format | Online Article Text |
id | pubmed-4571346 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2015 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-45713462015-09-22 Crystal structure of [1,1′′′-bis(pyrimidin-2-yl)-4,4′:2′,2′′:4′′,4′′′-quaterpyridine-1,1′′′-diium-κ(2) N (1′),N (1′′)]bis[2-(pyridin-2-yl)phenyl-κ(2) N,C (1)]iridium(III) tris(hexafluoridophosphate) acetonitrile trisolvate Coe, Benjamin J. Peers, Martyn K. Raftery, James Scrutton, Nigel S. Acta Crystallogr E Crystallogr Commun Research Communications In the title compound, [Ir(C(11)H(8)N)(2)(C(28)H(20)N(8))](PF(6))(3)·3CH(3)CN or [Ir(III)(ppy)(2){(2-pym)(2)qpy(2+)}](PF(6))(3)·3CH(3)CN (ppy = deprotonated 2-phenylpyridine, pym = pyrimidyl and qpy = 4,4′:2′,2′′:4′′,4′′′-quaterpyridyl), the Ir(3+) cation is coordinated by two C atoms and four N atoms in a slightly distorted octahedral geometry. The asymmetric unit consists of one complex trication, three hexafluoridophosphate anions and three acetonitrile solvent molecules. The average Ir—C distance is 2.011 (14) Å, the average Ir—N(ppy) distance is 2.05 (6) Å and the average Ir—N(qpy) distance is longer at 2.132 (10) Å. The dihedral angles within the 4,4′-bipyridyl units are 31.5 (6) and 23.8 (7)°, while those between the 2-pym and attached pyridyl rings are rather smaller, at 11.7 (9) and 7.1 (9)°. The title compound was refined as a two-component inversion twin. International Union of Crystallography 2015-07-04 /pmc/articles/PMC4571346/ /pubmed/26396745 http://dx.doi.org/10.1107/S2056989015012463 Text en © Coe et al. 2015 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 Coe, Benjamin J. Peers, Martyn K. Raftery, James Scrutton, Nigel S. Crystal structure of [1,1′′′-bis(pyrimidin-2-yl)-4,4′:2′,2′′:4′′,4′′′-quaterpyridine-1,1′′′-diium-κ(2) N (1′),N (1′′)]bis[2-(pyridin-2-yl)phenyl-κ(2) N,C (1)]iridium(III) tris(hexafluoridophosphate) acetonitrile trisolvate |
title | Crystal structure of [1,1′′′-bis(pyrimidin-2-yl)-4,4′:2′,2′′:4′′,4′′′-quaterpyridine-1,1′′′-diium-κ(2)
N
(1′),N
(1′′)]bis[2-(pyridin-2-yl)phenyl-κ(2)
N,C
(1)]iridium(III) tris(hexafluoridophosphate) acetonitrile trisolvate |
title_full | Crystal structure of [1,1′′′-bis(pyrimidin-2-yl)-4,4′:2′,2′′:4′′,4′′′-quaterpyridine-1,1′′′-diium-κ(2)
N
(1′),N
(1′′)]bis[2-(pyridin-2-yl)phenyl-κ(2)
N,C
(1)]iridium(III) tris(hexafluoridophosphate) acetonitrile trisolvate |
title_fullStr | Crystal structure of [1,1′′′-bis(pyrimidin-2-yl)-4,4′:2′,2′′:4′′,4′′′-quaterpyridine-1,1′′′-diium-κ(2)
N
(1′),N
(1′′)]bis[2-(pyridin-2-yl)phenyl-κ(2)
N,C
(1)]iridium(III) tris(hexafluoridophosphate) acetonitrile trisolvate |
title_full_unstemmed | Crystal structure of [1,1′′′-bis(pyrimidin-2-yl)-4,4′:2′,2′′:4′′,4′′′-quaterpyridine-1,1′′′-diium-κ(2)
N
(1′),N
(1′′)]bis[2-(pyridin-2-yl)phenyl-κ(2)
N,C
(1)]iridium(III) tris(hexafluoridophosphate) acetonitrile trisolvate |
title_short | Crystal structure of [1,1′′′-bis(pyrimidin-2-yl)-4,4′:2′,2′′:4′′,4′′′-quaterpyridine-1,1′′′-diium-κ(2)
N
(1′),N
(1′′)]bis[2-(pyridin-2-yl)phenyl-κ(2)
N,C
(1)]iridium(III) tris(hexafluoridophosphate) acetonitrile trisolvate |
title_sort | crystal structure of [1,1′′′-bis(pyrimidin-2-yl)-4,4′:2′,2′′:4′′,4′′′-quaterpyridine-1,1′′′-diium-κ(2)
n
(1′),n
(1′′)]bis[2-(pyridin-2-yl)phenyl-κ(2)
n,c
(1)]iridium(iii) tris(hexafluoridophosphate) acetonitrile trisolvate |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4571346/ https://www.ncbi.nlm.nih.gov/pubmed/26396745 http://dx.doi.org/10.1107/S2056989015012463 |
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