Information card for entry 7707155

Structure parameters

• Formula: C72 H80 N4 Ni
• Calculated formula: C72 H80 N4 Ni
• Title of publication: Nickel complexes based on BIAN ligands: transformation and catalysis on ethylene polymerization.
• Authors of publication: Xu, Shuyun; Chen, Xuemeng; Luo, Gen; Gao, Wei
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 21
• Pages of publication: 7356 - 7363
• a: 17.5141 ± 0.0015 Å
• b: 15.645 ± 0.0014 Å
• c: 21.5767 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5912.2 ± 0.9 ų
• Cell temperature: 185 ± 2 K
• Ambient diffraction temperature: 185 ± 2 K
• Number of distinct elements: 4
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0908
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.1059
• Weighted residual factors for all reflections included in the refinement: 0.1216
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No