Information card for entry 1568017

Structure parameters

• Formula: C77 H70 Br2 Cl2 N2 Ni
• Calculated formula: C77 H70 Br2 Cl2 N2 Ni
• Title of publication: Synthesis of lightly branched ultrahigh-molecular-weight polyethylene using cationic benzocyclohexyl nickel catalysts
• Authors of publication: Yan, Zhengpeng; Chang, Guanru; Zou, Wenping; Luo, Gen; Dai, Shengyu
• Journal of publication: Polymer Chemistry
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 2
• Pages of publication: 183 - 190
• a: 15.8351 ± 0.0015 Å
• b: 23.18 ± 0.002 Å
• c: 17.8789 ± 0.0018 Å
• α: 90°
• β: 103.973 ± 0.004°
• γ: 90°
• Cell volume: 6368.4 ± 1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• 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: 0.1312
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.0757
• Weighted residual factors for all reflections included in the refinement: 0.0843
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No