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

ABSTRACT: In the title complex, [Ir(C14H8F6N)2(C6H5N2O2)]·0.5CHCl3, the Ir(III) atom adopts a distorted octa-hedral geometry, being coordinated by three N atoms (arranged meridionally), two C atoms and one O atom of three bidentate ligands. The complex mol-ecules pack with no specific inter-molecular inter-actions between them. The SQUEEZE procedure in PLATON [Spek (2009 ?). Acta Cryst. D65, 148-155] was used to model a disordered chloro-form solvent mol-ecule; the calculated unit-cell data allow for the presence of half of this mol-ecule in the asymmetric unit.

SUBMITTER: Kim YI

PROVIDER: S-EPMC3998247 | biostudies-other | 2014 Feb

REPOSITORIES: biostudies-other

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(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.

Kim Young-Inn YI Song Young-Kwang YK Kang Sung Kwon SK

Acta crystallographica. Section E, Structure reports online 20140108 Pt 2

In the title complex, [Ir(C14H8F6N)2(C6H5N2O2)]·0.5CHCl3, the Ir(III) atom adopts a distorted octa-hedral geometry, being coordinated by three N atoms (arranged meridionally), two C atoms and one O atom of three bidentate ligands. The complex mol-ecules pack with no specific inter-molecular inter-actions between them. The SQUEEZE procedure in PLATON [Spek (2009 ▶). Acta Cryst. D65, 148-155] was used to model a disordered chloro-form solvent mol-ecule; the calculated unit-cell data allow for the ...[more]

PMID: 24764808

Similar Datasets

The crystal structure of bis-{3,5-di-fluoro-2-[4-(2,4,6-tri-methyl-phen-yl)pyridin-2-yl]phen-yl}(picolinato)iridium(III) and its 4-<i>tert</i>-butyl-pyridin-2-yl analogue.

Project description:The crystal structures of bis-{3,5-di-fluoro-2-[4-(2,4,6-tri-methyl-phen-yl)pyridin-2-yl]phenyl-?2 N,C 1}(picolinato-?2 N,O)iridium(III), [Ir(C20H16F2N)2(C6H4NO2)], 1, and bis-[2-(4-tert-butyl-pyridin-2-yl)-3,5-di-fluoro-phenyl-?2 N,C 1](picolinato-?2 N,O)iridium(III), [Ir(C15H14F2N)2(C6H4NO2)], 2, are presented herein. These phospho-rescent cyclo-metallated iridium(III) compounds have been structurally investigated in order to better understand the nature of their blue-shifted emssions while maintaining high quantum yields. Compound 1 exhibits substantial twisting of the mesitylene rings out of the plane of the attached pyridine ring, with dihedral angles of 67.0?(1) and 78.7?(1)° between the best mean planes. For both compounds, the contribution of disordered solvent mol-ecule(s) was removed using the SQUEEZE [Spek (2015 ?). Acta Cryst. C71, 9-18] routine in PLATON [Spek (2015 ?). Acta Cryst. C71, 9-18]. These solvent mol-ecules are not considered in the given chemical formula and other crystal data.

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Project description:The Ir centre in the title complex, [Ir(C(11)H(6)F(2)N)(2)(C(6)H(4)NO(2))], is six-coordinated in a slightly distorted octa-hedral IrC(2)N(3)O fashion.

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Project description:In the title complex, [Ni(C?H?O?N?)?], the Ni(II) atom is situated on an inversion centre and is coordinated in a square-planar geometry by four O atoms and two N atoms of the chelating ligands.

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Project description:In the title compound, [Cd(C(6)H(5)N(2)O(2))(2)(H(2)O)(2)], the Cd(II) ion is coordinated in a severely distorted octa-hedral geometry. The N atoms are cis to each other, while the water O atoms and ligand O atoms are mutually trans. The crystal structure is stabilized by a network of O-H?O, O-H?N and C-H?O hydrogen bonds and ?-? stacking inter-actions [centroid-centroid distances = 3.730?(3) and 3.652?(3)?Å] between the 5-methyl-pyrazine-2-carboxyl-ate ligands. The structure is isotypic with the manganese analog.

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