Information card for entry 7026247

Structure parameters

• Formula: C29 H30 Cl Ir N P
• Calculated formula: C29 H30 Cl Ir N P
• SMILES: [Ir]123(Cl)([P](c4[nH]c5c(c4C)cccc5)(c4ccccc4)c4ccccc4)[CH]4=[CH]2CC[CH]3=[CH]1CC4
• Title of publication: Rhodium and iridium complexes containing diphenyl-2-(3-methyl)indolylphosphine: synthesis, structure and application in the catalytic transfer hydrogenation of ketones.
• Authors of publication: Kuo, Yu-Ying; Haddow, Mairi F.; Pérez-Redondo, Adrián; Owen, Gareth R.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 27
• Pages of publication: 6239 - 6248
• a: 10.3316 ± 0.0003 Å
• b: 15.0241 ± 0.0005 Å
• c: 16.3586 ± 0.0005 Å
• α: 90°
• β: 105.523 ± 0.001°
• γ: 90°
• Cell volume: 2446.61 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0266
• Residual factor for significantly intense reflections: 0.0211
• Weighted residual factors for significantly intense reflections: 0.0432
• Weighted residual factors for all reflections included in the refinement: 0.0451
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No