Crystal structure of [1,1'''-bis-(pyrimidin-2-yl)-4,4':2',2'':4'',4'''-quaterpyridine-1,1'''-diium-?(2) N (1'),N (1'')]bis-[2-(pyridin-2-yl)phenyl-?(2) N,C (1)]iridium(III) tris-(hexa-fluorido-phosphate) aceto-nitrile tris-olvate.

ABSTRACT: In the title compound, [Ir(C11H8N)2(C28H20N8)](PF6)3·3CH3CN or [Ir(III)(ppy)2{(2-pym)2qpy(2+)}](PF6)3·3CH3CN (ppy = deprotonated 2-phenyl-pyridine, pym = pyrimidyl and qpy = 4,4':2',2'':4'',4'''-quaterpyrid-yl), the Ir(3+) cation is coordinated by two C atoms and four N atoms in a slightly distorted octa-hedral geometry. The asymmetric unit consists of one complex trication, three hexa-fluorido-phosphate anions and three aceto-nitrile solvent mol-ecules. 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.

SUBMITTER: Coe BJ 

PROVIDER: S-EPMC4571346 | biostudies-literature | 2015 Aug

REPOSITORIES: biostudies-literature