Information card for entry 1548124

Structure parameters

• Formula: C42 H34 N Ni O4 P
• Calculated formula: C42 N Ni O4 P
• SMILES: [Ni]1(N(C2C(=[O]1)c1ccccc1C(=O)C=2)c1c(OC)cccc1OC)([P](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1
• Title of publication: Highly Robust Nickel Catalysts Containing Anilinonaphthoquinone Ligand for Copolymerization of Ethylene and Polar Monomers
• Authors of publication: Fu, Xia; Zhang, Lingjun; Tanaka, Ryo; Shiono, Takeshi; Cai, Zhengguo
• Journal of publication: Macromolecules
• Year of publication: 2017
• Journal volume: 50
• Journal issue: 23
• Pages of publication: 9216
• a: 9.3668 ± 0.0009 Å
• b: 25.991 ± 0.003 Å
• c: 13.6228 ± 0.0012 Å
• α: 90°
• β: 92.305 ± 0.002°
• γ: 90°
• Cell volume: 3313.8 ± 0.6 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 K
• Number of distinct elements: 6
• 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: 0.0848
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.1097
• Weighted residual factors for all reflections included in the refinement: 0.1247
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No