Information card for entry 4112976

Structure parameters

• Formula: C66 H65 B F24 N2 O2 Pd
• Calculated formula: C66 H65 B F24 N2 O2 Pd
• Title of publication: Palladium-Catalyzed Copolymerization of Ethene with Acrolein Dimethyl Acetal: Catalyst Action and Deactivation
• Authors of publication: Weidong Li; Xiaochun Zhang; Auke Meetsma; Bart Hessen
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 12246 - 12247
• a: 12.8098 ± 0.0007 Å
• b: 28.259 ± 0.002 Å
• c: 19.154 ± 0.001 Å
• α: 90°
• β: 103.45 ± 0.001°
• γ: 90°
• Cell volume: 6743.4 ± 0.7 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1071
• Residual factor for significantly intense reflections: 0.0726
• Weighted residual factors for significantly intense reflections: 0.1866
• Weighted residual factors for all reflections included in the refinement: 0.2107
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No