Information card for entry 7707157

Structure parameters

• Formula: C72 H80 N4 Ni2 O2
• Calculated formula: C72 H80 N4 Ni2 O2
• 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: 13.2628 ± 0.0009 Å
• b: 29.492 ± 0.002 Å
• c: 19.388 ± 0.0014 Å
• α: 90°
• β: 102.498 ± 0.002°
• γ: 90°
• Cell volume: 7403.8 ± 0.9 ų
• Cell temperature: 240 ± 2 K
• Ambient diffraction temperature: 239.98 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: 0.0742
• Residual factor for significantly intense reflections: 0.0515
• Weighted residual factors for significantly intense reflections: 0.1283
• Weighted residual factors for all reflections included in the refinement: 0.1411
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No