Information card for entry 7020223

Structure parameters

• Formula: C82 H72 Br2 N4 Ni
• Calculated formula: C82 H72 Br2 N4 Ni
• Title of publication: Ethylene polymerization by 2-iminopyridylnickel halide complexes: synthesis, characterization and catalytic influence of the benzhydryl group.
• Authors of publication: Sun, Wen-Hua; Song, Shengju; Li, Baixiang; Redshaw, Carl; Hao, Xiang; Li, Yue-Sheng; Wang, Fosong
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 39
• Pages of publication: 11999 - 12010
• a: 15.921 ± 0.003 Å
• b: 12.415 ± 0.002 Å
• c: 18.706 ± 0.004 Å
• α: 90°
• β: 112.928 ± 0.003°
• γ: 90°
• Cell volume: 3405.3 ± 1.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.096
• Residual factor for significantly intense reflections: 0.0779
• Weighted residual factors for significantly intense reflections: 0.1413
• Weighted residual factors for all reflections included in the refinement: 0.1536
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No