Information card for entry 1557468

Structure parameters

• Formula: C60 H76 Br2 N2 Ni
• Calculated formula: C60 H76 Br2 N2 Ni
• Title of publication: Flexible cycloalkyl substituents in insertion polymerization with α-diimine nickel and palladium species
• Authors of publication: Dai, Shengyu; Li, Shuaikang; Xu, Guoyong; Wu, Cheng; Liao, Yudan; Guo, Lihua
• Journal of publication: Polymer Chemistry
• Year of publication: 2020
• Journal volume: 11
• Journal issue: 7
• Pages of publication: 1393 - 1400
• a: 16.631 ± 0.0014 Å
• b: 15.673 ± 0.0013 Å
• c: 22.5127 ± 0.0019 Å
• α: 90°
• β: 99.756 ± 0.002°
• γ: 90°
• Cell volume: 5783.2 ± 0.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• 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: 0.1412
• Residual factor for significantly intense reflections: 0.0543
• Weighted residual factors for significantly intense reflections: 0.0789
• Weighted residual factors for all reflections included in the refinement: 0.0848
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No