Information card for entry 4332846

Structure parameters

• Formula: C41.5 H43 Cl2 N O5 P2 Pd
• Calculated formula: C41.5 H43 Cl2 N O5 P2 Pd
• SMILES: [Pd]12([P](C(C[P]1(c1ccccc1)c1ccccc1)CO)(c1ccccc1)c1ccccc1)[N](C(c1c2ccc2ccccc12)C)(C)C.Cl(=O)(=O)(=O)[O-].C(Cl)Cl
• Title of publication: A Novel Approach toward Asymmetric Synthesis of Alcohol Functionalized C-Chiral Diphosphines via Two-Stage Hydrophosphination of Terminal Alkynols
• Authors of publication: Pullarkat, Sumod A.; Yi, Ding; Li, Yongxin; Tan, Geok-Kheng; Leung, Pak-Hing
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 18
• Pages of publication: 7455 - 7463
• a: 9.7268 ± 0.0004 Å
• b: 10.9351 ± 0.0005 Å
• c: 19.9748 ± 0.0009 Å
• α: 105.555 ± 0.001°
• β: 92.795 ± 0.001°
• γ: 98.128 ± 0.001°
• Cell volume: 2017.83 ± 0.15 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 7
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0764
• Residual factor for significantly intense reflections: 0.0569
• Weighted residual factors for significantly intense reflections: 0.1238
• Weighted residual factors for all reflections included in the refinement: 0.134
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No