Information card for entry 1545619

Structure parameters

• Formula: C112 H72 Br8 N16 Ni3 O16
• Calculated formula: C112 H72 Br8 N16 Ni3 O16
• Title of publication: Copolymerization of norbornene and butyl methacrylate at elevated temperatures by a single centre nickel catalyst bearing bulky bis(α-diimine) ligand with strong electron-withdrawing groups
• Authors of publication: He, Xiaohui; Deng, Yingjiao; Jiang, Xiong; Wang, Zijie; Yang, Yingping; Han, Zhilong; Chen, Defu
• Journal of publication: Polym. Chem.
• Year of publication: 2017
• Journal volume: 8
• Journal issue: 15
• Pages of publication: 2390
• a: 19.3 ± 0.008 Å
• b: 14.581 ± 0.007 Å
• c: 24.167 ± 0.01 Å
• α: 90°
• β: 94.227 ± 0.01°
• γ: 90°
• Cell volume: 6782 ± 5 ų
• Cell temperature: 273 K
• Ambient diffraction temperature: 273 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.1363
• Residual factor for significantly intense reflections: 0.0876
• Weighted residual factors for significantly intense reflections: 0.2213
• Weighted residual factors for all reflections included in the refinement: 0.2518
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No