Information card for entry 1575942

Structure parameters

• Formula: C85 H61 Br4 Cl9 F14 N4 Ni2
• Calculated formula: C84 H60 Br4 Cl6 F14 N4 Ni2
• Title of publication: Correlating electronic properties of a nickel polymerisation catalyst with the branching density of a polyethylene
• Authors of publication: Zeng, Yifan; Wang, Yizhou; Singh, Kuldip; Solan, Gregory A.; Ma, Yanping; Sun, Wen-Hua
• Journal of publication: Catalysis Science & Technology
• Year of publication: 2025
• Journal volume: 15
• Journal issue: 18
• Pages of publication: 5335 - 5345
• a: 31.6383 ± 0.0016 Å
• b: 10.6227 ± 0.0006 Å
• c: 27.4917 ± 0.0014 Å
• α: 90°
• β: 107.361 ± 0.002°
• γ: 90°
• Cell volume: 8818.6 ± 0.8 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0569
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.1027
• Weighted residual factors for all reflections included in the refinement: 0.1064
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No