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Crystal structure of fac-{5-[(hexylazaniumyl)methyl]-2-(pyridin-2-yl)phenyl-κ(2) N,C (1)}bis[2-(pyridin-2-yl)phenyl-κ(2) N,C (1)]iridium(III) chloride
The asymmetric unit of the title compound, fac-[Ir(C(11)H(8)N)(2)(C(18)H(24)N(2))]Cl or fac-[Ir(ppy)(2)(Hppy-NC(6))]Cl, contains two [Ir(ppy)(2)(ppy-NC(6))](H(+)) cations, two Cl(−) anions and disordered solvent. In each complex molecule, the Ir(III) ion is coordinated by two C,N-bidentate 2-(pyrid...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2018
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6176433/ https://www.ncbi.nlm.nih.gov/pubmed/30319796 http://dx.doi.org/10.1107/S2056989018012811 |
Sumario: | The asymmetric unit of the title compound, fac-[Ir(C(11)H(8)N)(2)(C(18)H(24)N(2))]Cl or fac-[Ir(ppy)(2)(Hppy-NC(6))]Cl, contains two [Ir(ppy)(2)(ppy-NC(6))](H(+)) cations, two Cl(−) anions and disordered solvent. In each complex molecule, the Ir(III) ion is coordinated by two C,N-bidentate 2-(pyridin-2-yl)phenyl ligands and one C,N-bidentate N-[4-(pyridin-2-yl)benzyl]hexan-1-aminium ligand, leading to a distorted fac-octahedral coordination environment. In the crystal, the molecules are linked by N—H⋯Cl, C—H⋯π and π–π interactions, forming a three-dimensional supramolecular structure. The hexyl group of one molecule is disordered over two orientations with a refined occupancy ratio of 0.412 (13):0.588 (13). The acetone and hexane solvent molecules were found to be highly disordered and their contribution to the scattering was masked using the solvent-masking routine smtbx.mask in OLEX2 [Rees et al. (2005 ▸). Acta Cryst. D61, 1299–1301]. These solvent molecules are not considered in the given chemical formula and other crystal data. |
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