Information card for entry 1568725

Structure parameters

• Formula: C86 H80 Br4 N4 Ni2
• Calculated formula: C86 H80 Br4 N4 Ni2
• Title of publication: Unexpected o-aryl tBu group effect on suppression of chain transfer in pyridine–imine Ni(ii) and Pd(ii) catalyzed ethylene (co)polymerization
• Authors of publication: Yan, Zhengpeng; Zou, Wenping; Dai, Shengyu
• Journal of publication: Polymer Chemistry
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 17
• Pages of publication: 2107 - 2116
• a: 20.718 ± 0.002 Å
• b: 9.01 ± 0.0011 Å
• c: 21.438 ± 0.002 Å
• α: 90°
• β: 92.285 ± 0.003°
• γ: 90°
• Cell volume: 3998.6 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298.15 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: 0.2689
• Residual factor for significantly intense reflections: 0.1063
• Weighted residual factors for significantly intense reflections: 0.2299
• Weighted residual factors for all reflections included in the refinement: 0.283
• Goodness-of-fit parameter for all reflections included in the refinement: 0.851
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No