Information card for entry 4069485

Structure parameters

• Formula: C55 H57 B Cl4 P3 Rh
• Calculated formula: C55 H55 B Cl4 P3 Rh
• Title of publication: Selective Hydrogenation of Cinnamaldehyde and Other α,β-Unsaturated Substrates Catalyzed by Rhodium and Ruthenium Complexes
• Authors of publication: Jiménez, Sonia; López, José A.; Ciriano, Miguel A.; Tejel, Cristina; Martínez, Alberto; Sánchez-Delgado, Roberto A.
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 11
• Pages of publication: 3193
• a: 12.0712 ± 0.0008 Å
• b: 13.5583 ± 0.0009 Å
• c: 15.4578 ± 0.0011 Å
• α: 91.398 ± 0.001°
• β: 94.119 ± 0.001°
• γ: 103.379 ± 0.001°
• Cell volume: 2452.7 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.067
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.1053
• Weighted residual factors for all reflections included in the refinement: 0.1122
• Goodness-of-fit parameter for all reflections included in the refinement: 0.977
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No