Information card for entry 7245419

Structure parameters

• Formula: C74 H60 Br2 F8 N2 Ni
• Calculated formula: C74 H60 Br2 F8 N2 Ni
• Title of publication: High molecular weight PE elastomers through 4,4-difluorobenzhydryl substitution in symmetrical α-diimino-nickel ethylene polymerization catalysts
• Authors of publication: Zheng, Yuting; Jiang, Shu; Liu, Ming; Yu, Zhixin; Ma, Yanping; Solan, Gregory A.; Zhang, Wenjuan; Liang, Tongling; Sun, Wen-Hua
• Journal of publication: RSC Advances
• Year of publication: 2022
• Journal volume: 12
• Journal issue: 37
• Pages of publication: 24037 - 24049
• a: 10.8443 ± 0.0004 Å
• b: 36.4718 ± 0.0012 Å
• c: 16.354 ± 0.0007 Å
• α: 90°
• β: 106.635 ± 0.004°
• γ: 90°
• Cell volume: 6197.5 ± 0.4 ų
• Cell temperature: 169.99 ± 0.12 K
• Ambient diffraction temperature: 169.99 ± 0.12 K
• Number of distinct elements: 6
• 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: 0.1634
• Residual factor for significantly intense reflections: 0.1343
• Weighted residual factors for significantly intense reflections: 0.3939
• Weighted residual factors for all reflections included in the refinement: 0.4189
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No