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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...

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Autores principales: Coe, Benjamin J., Peers, Martyn K., Raftery, James, Scrutton, Nigel S.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2015
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.
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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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