Information card for entry 2201540

Structure parameters

• Chemical name: A Cationic Palladium (R)-2,2',6,6'-Tetramethoxy-4,4'-Bis(diphenylphosphino)- 3,3'-Bipyridine Complex
• Formula: C38 H34 Cl2 N2 O4 P2 Pd
• Calculated formula: C38 H34 Cl2 N2 O4 P2 Pd
• SMILES: c12cc(nc(c1c1c(cc(nc1OC)OC)[P]([Pd]([P]2(c1ccccc1)c1ccccc1)(Cl)Cl)(c1ccccc1)c1ccccc1)OC)OC
• Title of publication: [(<i>R</i>)-4,4'-Bis(diphenylphosphino)-2,2',6,6'-tetramethoxy-3,3'-bipyridine-κ^2^<i>P,P</i>']dichloropalladium(II)
• Authors of publication: Wang, Lailai; Kwok, Waihim; Zhou, Zhongyuan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 7
• Pages of publication: m322 - m323
• a: 19.551 ± 0.003 Å
• b: 12.1135 ± 0.0019 Å
• c: 18.41 ± 0.003 Å
• α: 90°
• β: 119.529 ± 0.003°
• γ: 90°
• Cell volume: 3793.7 ± 1 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 7
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.1114
• Residual factor for significantly intense reflections: 0.0681
• Weighted residual factors for significantly intense reflections: 0.1413
• Weighted residual factors for all reflections included in the refinement: 0.1554
• Goodness-of-fit parameter for all reflections included in the refinement: 1.133
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes