Information card for entry 4074417

Structure parameters

• Formula: C61 H46 Cl4 N2 P2 Rh2
• Calculated formula: C60 H44 Cl2 N2 P2 Rh2
• SMILES: [Rh]123([Cl][Rh]45([Cl]1)[P]1(N6c7ccccc7[CH]4=[CH]5c4ccccc46)C(=CC=C1c1ccccc1)c1ccccc1)[P]1(N6c7ccccc7[CH]2=[CH]3c2ccccc62)C(=CC=C1c1ccccc1)c1ccccc1
• Title of publication: A New Bidentate Aminophosphole−Olefin Ligand for the Rhodium-Catalyzed Hydroformylation of Mono- and Disubstituted Olefins
• Authors of publication: Mora, Guilhem; van Zutphen, Steven; Thoumazet, Claire; Le Goff, Xavier F.; Ricard, Louis; Grutzmacher, Hansjorg; Le Floch, Pascal
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 23
• Pages of publication: 5528
• a: 7.822 ± 0.001 Å
• b: 27.135 ± 0.001 Å
• c: 25.5931 ± 0.001 Å
• α: 90°
• β: 103.481 ± 0.002°
• γ: 90°
• Cell volume: 5282.5 ± 0.7 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 6
• 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: 0.0636
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.115
• Weighted residual factors for all reflections included in the refinement: 0.1219
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No