Information card for entry 4314664

Structure parameters

• Formula: C43 H46 Cl5 N O5 P2 Pd
• Calculated formula: C43 H46 Cl5 N O5 P2 Pd
• SMILES: [Pd]12([P](c3ccccc3)(c3ccccc3)[C@@H](O)CC[P]1(c1ccccc1)c1ccccc1)[N]([C@@H](c1c2ccc2ccccc12)C)(C)C.ClCCl.ClCCl.Cl(=O)(=O)(=O)[O-]
• Title of publication: Asymmetric Synthesis of Functionalized 1,3-Diphosphines via Chiral Palladium Complex Promoted Hydrophosphination of Activated Olefins
• Authors of publication: Mingjun Yuan; Na Zhang; Sumod A. Pullarkat; Yongxin Li; Fengli Liu; Phuong-Tu Pham; Pak-Hing Leung
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 989 - 996
• a: 9.6961 ± 0.0004 Å
• b: 10.1443 ± 0.0004 Å
• c: 22.3638 ± 0.0009 Å
• α: 90°
• β: 91.964 ± 0.002°
• γ: 90°
• Cell volume: 2198.41 ± 0.15 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0499
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.0931
• Weighted residual factors for all reflections included in the refinement: 0.0959
• Goodness-of-fit parameter for all reflections included in the refinement: 1.155
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No