Information card for entry 4024144

Structure parameters

• Formula: C41 H36 Cl6 O4 P2 Pd Ru
• Calculated formula: C41 H36 Cl5.5 O4 P2 Pd Ru
• Title of publication: Novel C~2~-Symmetric Planar Chiral Diphosphine Ligands and Their Application in Pd-Catalyzed Asymmetric Allylic Substitutions
• Authors of publication: Delong Liu; Fang Xie; Wanbin Zhang
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2007
• Journal volume: 72
• Pages of publication: 6992 - 6997
• a: 10.0342 ± 0.0006 Å
• b: 20.4049 ± 0.0012 Å
• c: 42.599 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8722 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 20
• Hermann-Mauguin space group symbol: C 2 2 21
• Hall space group symbol: C 2c 2
• Residual factor for all reflections: 0.0945
• Residual factor for significantly intense reflections: 0.0673
• Weighted residual factors for significantly intense reflections: 0.1258
• Weighted residual factors for all reflections included in the refinement: 0.1399
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No