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Mer-Bis[3,5-difluoro-2-(2-pyrid-yl)phenyl-?C,N]{5-(2-pyridyl-?N)-3-[3-(4-vinyl-benz-yloxy)phen-yl]-1,2,4-triazol-1-ido}iridium(III) methanol solvate.

ABSTRACT: In the title compound, [Ir(C(11)H(6)F(2)N)(2)(C(22)H(17)N(4)O)]·CH(3)OH, the coordination at iridium is essentially octa-hedral, but with distortions associated with the bite angles of the ligands [76.25?(9)-80.71?(12)°] and the differing trans influences of C and N ligands [Ir-N = 2.04?Å (average) trans to N but 2.14?Å trans to C]. All three bidentate ligands have coordinating ring systems that are almost coplanar [inter-planar angles = 1.7?(1)-3.8?(2)°]. The vinyl-benzyl group is disordered over two positions with occupations of 0.653?(4) and 0.347?(4). The methanol solvent mol-ecule is involved in a classical O-H?N hydrogen bond to a triazole N atom.

SUBMITTER: Jones PG 

PROVIDER: S-EPMC2980050 | biostudies-literature | 2009

REPOSITORIES: biostudies-literature

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mer-Bis[3,5-difluoro-2-(2-pyrid-yl)phenyl-κC,N]{5-(2-pyridyl-κN)-3-[3-(4-vinyl-benz-yloxy)phen-yl]-1,2,4-triazol-1-ido}iridium(III) methanol solvate.

Jones Peter G PG   Debeaux Marc M   Weinkauf Andreas A   Hopf Henning H   Kowalsky Wolfgang W   Johannes Hans-Hermann HH  

Acta crystallographica. Section E, Structure reports online 20091216 Pt 1

In the title compound, [Ir(C(11)H(6)F(2)N)(2)(C(22)H(17)N(4)O)]·CH(3)OH, the coordination at iridium is essentially octa-hedral, but with distortions associated with the bite angles of the ligands [76.25 (9)-80.71 (12)°] and the differing trans influences of C and N ligands [Ir-N = 2.04 Å (average) trans to N but 2.14 Å trans to C]. All three bidentate ligands have coordinating ring systems that are almost coplanar [inter-planar angles = 1.7 (1)-3.8 (2)°]. The vinyl-benzyl group is disordered ov  ...[more]

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