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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 |
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. |
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