Information card for entry 7048852

Structure parameters

• Formula: C57 H60 B F4 N2 O3 P2 Rh
• Calculated formula: C49 H40 B F4 N2 O P2 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: 10.685 ± 0.003 Å
• b: 29.093 ± 0.003 Å
• c: 20.488 ± 0.004 Å
• α: 90°
• β: 111.271 ± 0.015°
• γ: 90°
• Cell volume: 5935 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• 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: 0.081
• Residual factor for significantly intense reflections: 0.077
• Weighted residual factors for significantly intense reflections: 0.1788
• Weighted residual factors for all reflections included in the refinement: 0.1812
• Goodness-of-fit parameter for all reflections included in the refinement: 1.19
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No