Information card for entry 4069486

Structure parameters

• Formula: C45 H41 B Cl2 P3 Rh
• Calculated formula: C45 H41 B Cl2 P3 Rh
• SMILES: [Rh]12([P](c3ccccc3)(c3ccccc3)C[B](C[P]1(c1ccccc1)c1ccccc1)(C[P]2(c1ccccc1)c1ccccc1)c1ccccc1)(Cl)Cl
• 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: 9.6633 ± 0.0007 Å
• b: 18.6168 ± 0.0013 Å
• c: 22.0862 ± 0.0015 Å
• α: 104.4 ± 0.001°
• β: 93.131 ± 0.001°
• γ: 90.81 ± 0.001°
• Cell volume: 3841.1 ± 0.5 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: 0.0922
• Residual factor for significantly intense reflections: 0.0587
• Weighted residual factors for significantly intense reflections: 0.1046
• Weighted residual factors for all reflections included in the refinement: 0.1149
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No