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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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Detalles Bibliográficos
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
Descripción
Sumario: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.