Information card for entry 4065370

Structure parameters

• Formula: C65 H67 Cl3 N2 O10 P2 Pd2 S2
• Calculated formula: C65 H67 Cl3 N2 O10 P2 Pd2 S2
• Title of publication: Structural Modification of Functionalized Phosphine Sulfonate-Based Palladium(II) Olefin Polymerization Catalysts
• Authors of publication: Anselment, Timo M. J.; Wichmann, Christian; Anderson, Carly E.; Herdtweck, Eberhardt; Rieger, Bernhard
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 24
• Pages of publication: 6602
• a: 23.1506 ± 0.0009 Å
• b: 14.7312 ± 0.0006 Å
• c: 24.5348 ± 0.0009 Å
• α: 90°
• β: 110.688 ± 0.0017°
• γ: 90°
• Cell volume: 7827.7 ± 0.5 ų
• Cell temperature: 123 ± 1 K
• Ambient diffraction temperature: 123 ± 1 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0382
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.0913
• Weighted residual factors for all reflections included in the refinement: 0.0935
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No