Crystal structure of [1,1′′′-bis(pyrimidin-2-yl)-4,4′:2′,2′′:4′′,4′′′-quaterpyridine-1,1′′′-diium-κ2N1′,N1′′]bis[2-(pyridin-2-yl)phenyl-κ2N,C1]iridium(III) tris(hexafluoridophosphate) acetonitrile trisolvate

Acta Crystallographica Section E: Crystallographic Communications

Nigel S. Scrutton¹  Martyn K. Peers¹  James Raftery²  Benjamin J. Coe² 

[1] Manchester Institute of Biotechnology, Faculty of Life Sciences, University of Manchester, 131 Princess Street, Manchester M1 7DN, England;School of Chemistry, University of Manchester, Manchester M13 9PL, England;

关键词: crystal structure;    iridium(III);    cyclometalated;    4,4′:2′,2′′:4′′,4′′′-quaterpyridyl ligand;   

DOI  :  10.1107/S2056989015012463

来源: DOAJ

【 摘 要 】

In the title compound, [Ir(C11H8N)2(C28H20N8)](PF6)3·3CH3CN or [IrIII(ppy)2{(2-pym)2qpy2+}](PF6)3·3CH3CN (ppy = deprotonated 2-phenylpyridine, pym = pyrimidyl and qpy = 4,4′:2′,2′′:4′′,4′′′-quaterpyridyl), the Ir3+ 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.

【 授权许可】

Unknown