Information card for entry 7018892

Structure parameters

• Formula: C25 H26 Cl2 N O4 P Pd
• Calculated formula: C25 H26 Cl2 N O4 P Pd
• SMILES: [Pd]1(Cl)(Cl)[NH](c2ccc(C)cc2)[C@H](C(=O)OC)[C@@H](C(=O)OC)[P]1(c1ccccc1)c1ccccc1
• Title of publication: Chiral cyclopalladated complex promoted asymmetric synthesis of diester-substituted P,N-ligands via stepwise hydrophosphination and hydroamination reactions.
• Authors of publication: Chen, Ke; Pullarkat, Sumod A.; Ma, Mengtao; Li, Yongxin; Leung, Pak-Hing
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 17
• Pages of publication: 5391 - 5400
• a: 10.5919 ± 0.0014 Å
• b: 20.528 ± 0.003 Å
• c: 12.6956 ± 0.0016 Å
• α: 90°
• β: 109.676 ± 0.008°
• γ: 90°
• Cell volume: 2599.2 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0377
• Residual factor for significantly intense reflections: 0.0287
• Weighted residual factors for significantly intense reflections: 0.0701
• Weighted residual factors for all reflections included in the refinement: 0.0811
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No