(5-Methyl-pyrazine-2-carboxyl-ato-κ(2) N (1),O)bis-[2-(4-methyl-pyridin-2-yl-κN)-3,5-bis-(tri-fluoro-meth-yl)phenyl-κC (1)]iridium(III) chloro-form hemisolvate.

Young-Inn Kim,Sung Kwon Kang,Young-Kwang Song

doi:10.1107/s1600536813034727

Young-Inn Kim, Sung Kwon Kang + Show 1 more

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https://doi.org/10.1107/s1600536813034727

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Abstract

In the title complex, [Ir(C14H8F6N)2(C6H5N2O2)]·0.5CHCl3, the IrIII atom adopts a distorted octahedral geometry, being coordinated by three N atoms (arranged meridionally), two C atoms and one O atom of three bidentate ligands. The complex molecules pack with no specific intermolecular interactions between them. The SQUEEZE procedure in PLATON [Spek (2009 ▶). Acta Cryst. D65, 148–155] was used to model a disordered chloroform solvent molecule; the calculated unit-cell data allow for the presence of half of this molecule in the asymmetric unit.

Highlights

481 parameters H-atom parameters not refined Ámax = 1.22 e A À3 Ámin = À0.90 e A À3
The complex molecules pack with no specific intermolecular interactions between them
D65, 148–155] was used to model a disordered chloroform solvent molecule; the calculated unit-cell data allow for the presence of half of this molecule in the asymmetric unit

Summary

Data collection

Absorption correction: multi-scan (SADABS; Bruker, 2002) Tmin = 0.284, Tmax = 0.351. 481 parameters H-atom parameters not refined Ámax = 1.22 e A À3 Ámin = À0.90 e A À3. Key indicators: single-crystal X-ray study; T = 296 K; mean (C–C) = 0.005 A; some non-H atoms missing; R factor = 0.025; wR factor = 0.064; data-to-parameter ratio = 18.1. In the title complex, [Ir(C14H8F6N)2(C6H5N2O2)]Á0.5CHCl3, the IrIII atom adopts a distorted octahedral geometry, being coordinated by three N atoms (arranged meridionally), two C atoms and one O atom of three bidentate ligands. The complex molecules pack with no specific intermolecular interactions between them. D65, 148–155] was used to model a disordered chloroform solvent molecule; the calculated unit-cell data allow for the presence of half of this molecule in the asymmetric unit

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