Information card for entry 1573092

Structure parameters

• Formula: C84 H88 Br4 N4 Ni2
• Calculated formula: C84 H88 Br4 N4 Ni2
• Title of publication: Axial-phenyl Constrained Bis(imino)acenaphthene-Nickel Precatalysts Enhancing Ethylene Polymerization
• Authors of publication: Wang, Quanchao; Zhang, Qiuyue; Wang, Yizhou; Zou, Song; Ma, Yanping; Liang, Tongling; Sun, Wen Hua
• Journal of publication: Polymer Chemistry
• Year of publication: 2024
• a: 10.1206 ± 0.0004 Å
• b: 11.7415 ± 0.0006 Å
• c: 18.2647 ± 0.0005 Å
• α: 100.897 ± 0.003°
• β: 90.722 ± 0.003°
• γ: 104.2 ± 0.004°
• Cell volume: 2062.19 ± 0.15 ų
• Cell temperature: 169.98 ± 0.11 K
• Ambient diffraction temperature: 169.98 ± 0.11 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0866
• Residual factor for significantly intense reflections: 0.0723
• Weighted residual factors for significantly intense reflections: 0.1871
• Weighted residual factors for all reflections included in the refinement: 0.1975
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No