Information card for entry 4066222

Structure parameters

• Formula: C22 H24 Cl2 P2 Pd
• Calculated formula: C22 H24 Cl2 P2 Pd
• SMILES: [Pd]1(Cl)(Cl)[P](CC[P@]1(c1ccccc1)CC)(c1ccccc1)c1ccccc1
• Title of publication: Asymmetric Synthesis of New Diphosphines and Pyridylphosphines via a Kinetic Resolution Process Promoted and Controlled by a Chiral Palladacycle
• Authors of publication: Chen, Shuli; Ng, Joseph Kok-Peng; Pullarkat, Sumod A.; Liu, Fengli; Li, Yongxin; Leung, Pak-Hing
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 15
• Pages of publication: 3374
• a: 8.6884 ± 0.0003 Å
• b: 14.7236 ± 0.0006 Å
• c: 9.3534 ± 0.0004 Å
• α: 90°
• β: 109.031 ± 0.002°
• γ: 90°
• Cell volume: 1131.13 ± 0.08 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 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: 0.043
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.0903
• Weighted residual factors for all reflections included in the refinement: 0.0996
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No