Information card for entry 4078997

Structure parameters

• Formula: C71 H69 B F24 N2 O2 Pd
• Calculated formula: C71 H68 B F24 N2 O2 Pd
• Title of publication: Substituent Effects of the Backbone in α-Diimine Palladium Catalysts on Homo- and Copolymerization of Ethylene with Methyl Acrylate
• Authors of publication: Guo, Lihua; Gao, Haiyang; Guan, Qirui; Hu, Haibin; Deng, Juean; Liu, Jun; Liu, Fengshou; Wu, Qing
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 17
• Pages of publication: 6054
• a: 28.532 ± 0.003 Å
• b: 14.8505 ± 0.0015 Å
• c: 35.569 ± 0.004 Å
• α: 90°
• β: 106.844 ± 0.002°
• γ: 90°
• Cell volume: 14425 ± 3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.212
• Residual factor for significantly intense reflections: 0.1149
• Weighted residual factors for significantly intense reflections: 0.3035
• Weighted residual factors for all reflections included in the refinement: 0.3725
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No