Information card for entry 4328218

Structure parameters

• Formula: C40 H35 Cl Ir N O2 P2
• Calculated formula: C40 H35 Cl Ir N O2 P2
• SMILES: C1(=O)c2c(cccc2)[P](c2ccccc2)(c2ccccc2)[Ir]21(C(=O)c1c(cccc1)[P]2(c1ccccc1)c1ccccc1)(Cl)[NH](C)C
• Title of publication: Reactions of Hydridoirida-β-diketones with Amines or with 2-Aminopyridines: Formation of Hydridoirida-β-ketoimines, PCN Terdentate Ligands, and Acyl Decarbonylation
• Authors of publication: Roberto Ciganda; María A. Garralda; Lourdes Ibarlucea; Claudio Mendicute-Fierro; M. Carmen Torralba; M. Rosario Torres
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 1760 - 1768
• a: 26.411 ± 0.003 Å
• b: 19.349 ± 0.002 Å
• c: 19.978 ± 0.002 Å
• α: 90°
• β: 123.279 ± 0.002°
• γ: 90°
• Cell volume: 8535.1 ± 1.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0892
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.1768
• Weighted residual factors for all reflections included in the refinement: 0.2568
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No