Information card for entry 7055638

Structure parameters

• Formula: C37 H57 Br2 N3 Ni O5
• Calculated formula: C37 H57 Br2 N3 Ni O5
• Title of publication: Nickel(ii) complexes chelated by 2,6-pyridinedicarboxamide: syntheses, characterization, and ethylene oligomerization
• Authors of publication: Zhang, Jie; Liu, Shaofeng; Li, Antai; Ye, Hongqi; Li, Zhibo
• Journal of publication: New J. Chem.
• Year of publication: 2016
• Journal volume: 40
• Journal issue: 8
• Pages of publication: 7027
• a: 14.859 ± 0.003 Å
• b: 16.766 ± 0.004 Å
• c: 16.883 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4206 ± 1.6 ų
• Cell temperature: 173.15 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0551
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.0909
• Weighted residual factors for all reflections included in the refinement: 0.0954
• Goodness-of-fit parameter for all reflections included in the refinement: 1.118
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No