Information card for entry 4112979

Structure parameters

• Formula: C66 H65 B F24 N2 O Pd
• Calculated formula: C66 H65 B F24.03 N2 O 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: 12.5293 ± 0.0008 Å
• b: 15.592 ± 0.001 Å
• c: 18.468 ± 0.001 Å
• α: 77.686 ± 0.001°
• β: 70.452 ± 0.001°
• γ: 82.915 ± 0.001°
• Cell volume: 3316.4 ± 0.4 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1599
• Residual factor for significantly intense reflections: 0.0786
• Weighted residual factors for significantly intense reflections: 0.2001
• Weighted residual factors for all reflections included in the refinement: 0.2318
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No