Information card for entry 4064005

Structure parameters

• Formula: C26 H27 Cl N P Pd
• Calculated formula: C26 H27 Cl N P Pd
• SMILES: [Pd]1([P](C#CC)(C#CC)c2ccccc2)(Cl)[N]([C@@H](c2c1ccc1ccccc21)C)(C)C
• Title of publication: Asymmetric Synthesis of P-Stereogenic Homo- and Heterobimetallic Complexes via Selective Monoinsertion of Dialkynylphosphine into the Pd−C Bond of a Palladacycle
• Authors of publication: Chen, Shuli; Pullarkat, Sumod A.; Li, Yongxin; Leung, Pak-Hing
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 6
• Pages of publication: 1530
• a: 12.6734 ± 0.0005 Å
• b: 12.7251 ± 0.0005 Å
• c: 15.6035 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2516.38 ± 0.18 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0355
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.071
• Weighted residual factors for all reflections included in the refinement: 0.0722
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No