Information card for entry 7048851

Structure parameters

• Formula: C31 H28 Cl2 N2 O P Rh
• Calculated formula: C31 H28 Cl2 N2 O P Rh
• Title of publication: (Diphenylphosphino)alkylaldehyde affords hydride- or alkyl-[(diphenylphosphino)alkylacyl]rhodium(iii) or (diphenylphosphino)alkylester complexes: theoretical and experimental diastereoselectivity.
• Authors of publication: Azpeitia, Susan; Barquín, Montserrat; Mendicute-Fierro, Claudio; Huertos, Miguel A.; Rodríguez-Diéguez, Antonio; Seco, Jose M.; San Sebastian, Eider; Ibarlucea, Lourdes; Garralda, María A
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 10
• Pages of publication: 3300 - 3313
• a: 9.6045 ± 0.001 Å
• b: 12.0456 ± 0.0012 Å
• c: 13.9271 ± 0.0014 Å
• α: 64.448 ± 0.001°
• β: 72.559 ± 0.001°
• γ: 75.993 ± 0.001°
• Cell volume: 1374.9 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0389
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.0885
• Weighted residual factors for all reflections included in the refinement: 0.0946
• Goodness-of-fit parameter for all reflections included in the refinement: 0.742
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No