Information card for entry 7114393

Structure parameters

• Formula: C42.5 H41 Cl2.5 D0.5 Ir N O P2
• Calculated formula: C42.5 H41 Cl2.5 Ir N O P2
• Title of publication: Diastereoselective formation of chiral iridium hydrides containing the chiral P,N-chelate ligand (4S)-2-(2-(diphenylphosphino)phenyl)-4-isopropyl-1,3-oxazolineElectronic supplementary information (ESI) available: selected analytical and spectroscopic data for 1. See http://www.rsc.org/suppdata/cc/b2/b200518b/
• Authors of publication: Carmona, Daniel; Ferrer, Joaquina; Lorenzo, Mónica; Santander, Manuel; Ponz, Sergio; Lahoz, Fernando J.; López, José A.; Oro, Luis A.
• Journal of publication: Chemical Communications
• Year of publication: 2002
• Journal issue: 8
• Pages of publication: 870
• a: 17.371 ± 0.002 Å
• b: 18.477 ± 0.003 Å
• c: 23.918 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7676.8 ± 1.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 23
• Hermann-Mauguin space group symbol: I 2 2 2
• Hall space group symbol: I 2 2
• Residual factor for all reflections: 0.075
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.0703
• Weighted residual factors for all reflections included in the refinement: 0.078
• Goodness-of-fit parameter for all reflections included in the refinement: 0.811
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No