Information card for entry 7229654

Structure parameters

• Formula: C50 H52 Br2 N2 Ni
• Calculated formula: C50 H52 Br2 N2 Ni
• Title of publication: Ligand steric effects on α-diimine nickel catalyzed ethylene and 1-hexene polymerization
• Authors of publication: Sun, Jinlong; Wang, Fuzhou; Li, Weimin; Chen, Min
• Journal of publication: RSC Advances
• Year of publication: 2017
• Journal volume: 7
• Journal issue: 87
• Pages of publication: 55051
• a: 22.4157 ± 0.0008 Å
• b: 8.5771 ± 0.0003 Å
• c: 24.0509 ± 0.0008 Å
• α: 90°
• β: 114.281 ± 0.004°
• γ: 90°
• Cell volume: 4215 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/a 1
• Hall space group symbol: -P 2ya
• Residual factor for all reflections: 0.1146
• Residual factor for significantly intense reflections: 0.0823
• Weighted residual factors for significantly intense reflections: 0.1875
• Weighted residual factors for all reflections included in the refinement: 0.2022
• Goodness-of-fit parameter for all reflections included in the refinement: 1.26
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No