Information card for entry 4318232

Structure parameters

• Formula: C26 H31 Cl N2 O P Rh
• Calculated formula: C26 H31 Cl N2 O P Rh
• SMILES: [Rh]1(Cl)([P](CC([NH]1c1ccccc1)c1ccccc1)(c1ccccc1)CN(CC)CC)C#[O]
• Title of publication: Synthesis, Coordination to Rh(I), and Hydroformylation Catalysis of New β-Aminophosphines Bearing a Dangling Nitrogen Group: An Unusual Inversion of a Rh-Coordinated P Center
• Authors of publication: Jacques Andrieu; Philippe Richard; Jean-Michel Camus; Rinaldo Poli
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 3876 - 3885
• a: 9.8922 ± 0.0001 Å
• b: 21.4323 ± 0.0003 Å
• c: 12.5571 ± 0.0002 Å
• α: 90°
• β: 106.622 ± 0.001°
• γ: 90°
• Cell volume: 2551.01 ± 0.06 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 7
• 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: 0.0339
• Residual factor for significantly intense reflections: 0.0252
• Weighted residual factors for significantly intense reflections: 0.0552
• Weighted residual factors for all reflections included in the refinement: 0.0582
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No