Information card for entry 1100817

Structure parameters

• Formula: C46 H46 N Ni O P
• Calculated formula: C46 H46 N Ni O P
• Title of publication: Copolymerization of Ethylene with Methyl Methacrylate with Neutral Nickel(II) Complexes Bearing β-Ketoiminato Chelate Ligands
• Authors of publication: Li, Xiao-Fang; Li, Yang-Guo; Li, Yue-Sheng; Chen, Yan-Xiang; Hu, Ning-Hai
• Journal of publication: Organometallics
• Year of publication: 2005
• Journal volume: 24
• Journal issue: 10
• Pages of publication: 2502 - 2510
• a: 10.782 ± 0.003 Å
• b: 38.013 ± 0.011 Å
• c: 10.424 ± 0.003 Å
• α: 90°
• β: 114.18 ± 0.02°
• γ: 90°
• Cell volume: 3897.5 ± 1.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0998
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.0723
• Weighted residual factors for all reflections included in the refinement: 0.079
• Goodness-of-fit parameter for all reflections included in the refinement: 0.915
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No