Information card for entry 4517620

Structure parameters

• Formula: C43 H37 Br2 F N2 Ni O
• Calculated formula: C43 H37 Br2 F N2 Ni O
• Title of publication: Sterically and Electronically Modified Aryliminopyridyl-Nickel Bromide Precatalysts for an Access to Branched Polyethylene with Vinyl/Vinylene End Groups
• Authors of publication: Zada, Muhammad; Vignesh, Arumugam; Guo, Liwei; Zhang, Randi; Zhang, Wenjuan; Ma, Yanping; Sun, Yang; Sun, Wen-Hua
• Journal of publication: ACS Omega
• Year of publication: 2020
• a: 15.6936 ± 0.0004 Å
• b: 18.8357 ± 0.0005 Å
• c: 14.8346 ± 0.0007 Å
• α: 90°
• β: 92.195 ± 0.003°
• γ: 90°
• Cell volume: 4381.9 ± 0.3 ų
• Cell temperature: 170.01 ± 0.1 K
• Ambient diffraction temperature: 170.01 ± 0.1 K
• Number of distinct elements: 7
• 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: 0.1089
• Residual factor for significantly intense reflections: 0.0615
• Weighted residual factors for significantly intense reflections: 0.1333
• Weighted residual factors for all reflections included in the refinement: 0.1496
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No