Information card for entry 7007567

Structure parameters

• Formula: C20 H26 Cl2 P2 Pt
• Calculated formula: C20 H26 Cl2 P2 Pt
• SMILES: [Pt]1([P](c2ccccc2)(c2ccccc2)CC[P]21[C@@H](CC[C@H]2C)C)(Cl)Cl
• Title of publication: Allosteric effects in asymmetric hydrogenation catalysis? Asymmetric induction as a function of the substrate and the backbone flexibility of C1-symmetric diphosphines in rhodium-catalysed hydrogenations.
• Authors of publication: Baber, Angharad; de Vries, Johannes G.; Orpen, A. Guy; Pringle, Paul G.; von der Luehe, Karl
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 40
• Pages of publication: 4821 - 4828
• a: 8.8106 ± 0.0011 Å
• b: 13.7761 ± 0.0017 Å
• c: 9.1967 ± 0.0011 Å
• α: 90°
• β: 108.001 ± 0.002°
• γ: 90°
• Cell volume: 1061.6 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0
• Residual factor for significantly intense reflections: 0.0282
• Weighted residual factors for significantly intense reflections: 0.063
• Weighted residual factors for all reflections included in the refinement: 0.0653
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No