Information card for entry 1575944

Structure parameters

• Formula: C47 H39.5 Br2 F4 N6.5 Ni O2
• Calculated formula: C42 H32 Br2 F4 N4 Ni O2
• 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: 32.1203 ± 0.001 Å
• b: 17.5007 ± 0.0005 Å
• c: 21.208 ± 0.0007 Å
• α: 90°
• β: 130.266 ± 0.001°
• γ: 90°
• Cell volume: 9096.8 ± 0.5 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: 0.0358
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.0884
• Weighted residual factors for all reflections included in the refinement: 0.0903
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No