Information card for entry 7111360

Structure parameters

• Common name: Dichloro((S)-(+)-2,2'-bis(dicyclohexylphosphino)-1,1'- binaphthyl)palladium
• Formula: C44 H56 Cl2 P2 Pd
• Calculated formula: C44 H56 Cl2 P2 Pd
• SMILES: [Pd]1(Cl)(Cl)[P](c2c(c3ccccc3cc2)c2c([P]1(C1CCCCC1)C1CCCCC1)ccc1ccccc21)(C1CCCCC1)C1CCCCC1
• Title of publication: A highly efficient asymmetric Suzuki?Miyaura coupling reaction catalyzed by cationic chiral palladium(ii) complexes
• Authors of publication: Mikami, Koichi; Miyamoto, Takashi; Hatano, Manabu
• Journal of publication: Chemical Communications
• Year of publication: 2004
• Journal issue: 18
• Pages of publication: 2082 - 2083
• a: 27.4346 ± 0.0009 Å
• b: 12.8063 ± 0.0009 Å
• c: 14.2675 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5012.7 ± 0.5 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 5
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.095
• Residual factor for significantly intense reflections: 0.0916
• Weighted residual factors for significantly intense reflections: 0.2671
• Weighted residual factors for all reflections included in the refinement: 0.272
• Goodness-of-fit parameter for all reflections included in the refinement: 1.187
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No