Information card for entry 1562355

Structure parameters

• Formula: C59.25 H54.5 Br2 Cl2.5 N2 Ni
• Calculated formula: C59.25 H54.5 Br2 Cl2.5 N2 Ni
• Title of publication: Suppression of chain transfer via a restricted rotation effect of dibenzosuberyl substituents in polymerization catalysis
• Authors of publication: Dai, Shengyu; Li, Gen; Lu, Weiqing; Liao, Yudan; Fan, Weigang
• Journal of publication: Polymer Chemistry
• Year of publication: 2021
• Journal volume: 12
• Journal issue: 22
• Pages of publication: 3240 - 3249
• a: 15.1086 ± 0.0014 Å
• b: 19.8115 ± 0.0017 Å
• c: 19.2127 ± 0.0016 Å
• α: 90°
• β: 93.602 ± 0.002°
• γ: 90°
• Cell volume: 5739.5 ± 0.9 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 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: 0.1506
• Residual factor for significantly intense reflections: 0.0697
• Weighted residual factors for significantly intense reflections: 0.2153
• Weighted residual factors for all reflections included in the refinement: 0.2354
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No