Information card for entry 4108584

Structure parameters

• Formula: C24 H45 N2 O P2 Rh
• Calculated formula: C24 H45 N2 O P2 Rh
• SMILES: [Rh]12([n]3c(cccc3C[P]2(C(C)(C)C)C(C)(C)C)C[P]1(C(C)(C)C)C(C)(C)C)C#N.O
• Title of publication: Competitive C-I versus C-CN Reductive Elimination from a RhIII Complex. Selectivity is Controlled by the Solvent
• Authors of publication: Moran Feller; Mark A. Iron; Linda J. W. Shimon; Yael Diskin-Posner; Gregory Leitus; David Milstein
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 14374 - 14375
• a: 12.2971 ± 0.0003 Å
• b: 15.0942 ± 0.0003 Å
• c: 14.9436 ± 0.0002 Å
• α: 90°
• β: 100.304 ± 0.0012°
• γ: 90°
• Cell volume: 2729.02 ± 0.09 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0529
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.0851
• Weighted residual factors for all reflections included in the refinement: 0.0903
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No