Chlorido[1-(2-oxidophenyl)ethylidene][tris(3,5-dimethylpyrazol-1-yl) hydroborato]iridium(III) chloroform monosolvate
In the title compound, [Ir(C15H22BN 6)(C8H7O)Cl]·CHCl3, the Ir atom is formally trivalent and is coordinated in a slightly distorted octahedral geometry by three facial N atoms, one C atom, one O atom and one Cl atom. The Ir=Ccarbene bond is strong and short and exerts a notable effect on the trans-...
| Autores: | , , |
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| Tipo de recurso: | artículo |
| Fecha de publicación: | 2013 |
| País: | España |
| Institución: | Consejo Superior de Investigaciones Científicas (CSIC) |
| Repositorio: | DIGITAL.CSIC. Repositorio Institucional del CSIC |
| OAI Identifier: | oai:digital.csic.es:10261/97368 |
| Acceso en línea: | http://hdl.handle.net/10261/97368 |
| Access Level: | acceso abierto |
| Palabra clave: | R factor = 0.028 Mean (C–C) = 0.005 A˚ wR factor = 0.071 Data-to-parameter ratio = 23.6. T = 173 K Key indicators: single-crystal X-ray study |
| Sumario: | In the title compound, [Ir(C15H22BN 6)(C8H7O)Cl]·CHCl3, the Ir atom is formally trivalent and is coordinated in a slightly distorted octahedral geometry by three facial N atoms, one C atom, one O atom and one Cl atom. The Ir=Ccarbene bond is strong and short and exerts a notable effect on the trans-Ir-N bond, which is about 0.10 Å longer than the two other Ir-N bonds. The chloroform solvent molecule is anchored via a weak C-H⋯Cl hydrogen bond to the Cl atom of the Ir complex molecule. In the crystal, the constituents adopt a layer-like arrangement parallel to (010) and are held together by weak intermolecular C-H⋯Cl hydrogen bonds, as well as weak Cl⋯Cl [3.498 (2) Å] and Cl⋯π [3.360 (4) Å] interactions. A weak intramolecular C-H⋯O hydrogen bond is also observed. |
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