Information card for entry 4067310

Structure parameters

• Formula: C46 H56 Cl3 N O6 P2 Pd
• Calculated formula: C46 H56 Cl3 N O6 P2 Pd
• Title of publication: Palladium Template Promoted Asymmetric Synthesis of 1,2-Diphosphines by Hydrophosphination of Functionalized Allenes
• Authors of publication: Huang, Yinhua; Pullarkat, Sumod A.; Yuan, Mingjun; Ding, Yi; Li, Yongxin; Leung, Pak-Hing
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 3
• Pages of publication: 536
• a: 9.4239 ± 0.0004 Å
• b: 10.8958 ± 0.0004 Å
• c: 24.5978 ± 0.001 Å
• α: 87.085 ± 0.002°
• β: 85.843 ± 0.002°
• γ: 65.339 ± 0.002°
• Cell volume: 2288.73 ± 0.16 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0743
• Residual factor for significantly intense reflections: 0.0634
• Weighted residual factors for significantly intense reflections: 0.1587
• Weighted residual factors for all reflections included in the refinement: 0.1671
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No