Information card for entry 4068533

Structure parameters

• Formula: C30 H30 Cl4 O2 P2 Pd
• Calculated formula: C30 H30 Cl4 O2 P2 Pd
• SMILES: [Pd]1(Cl)(Cl)[P](c2ccccc2)(c2ccccc2)[C@@H](CC(=O)OC)C[P]1(c1ccccc1)c1ccccc1.C(Cl)Cl
• Title of publication: Asymmetric Synthesis of Functionalized 1,2-Diphosphine via the Chemoselective Hydrophosphination of Coordinated Allylic Phosphines
• Authors of publication: Yuan, Mingjun; Pullarkat, Sumod A.; Ma, Mengtao; Zhang, Yi; Huang, Yinhua; Li, Yongxin; Goel, Akash; Leung, Pak-Hing
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 3
• Pages of publication: 780
• a: 9.6992 ± 0.0003 Å
• b: 15.181 ± 0.0005 Å
• c: 10.9048 ± 0.0003 Å
• α: 90°
• β: 103.784 ± 0.001°
• γ: 90°
• Cell volume: 1559.42 ± 0.08 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0285
• Residual factor for significantly intense reflections: 0.0265
• Weighted residual factors for significantly intense reflections: 0.0693
• Weighted residual factors for all reflections included in the refinement: 0.075
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No