Information card for entry 1548123

Structure parameters

• Formula: C69 H56 N Ni O2.5 P
• Calculated formula: C69 H56 N Ni O2.5 P
• SMILES: [Ni]1(N(C2C(=[O]1)c1ccccc1C(=O)C=2)c1c(cc(cc1C(c1ccccc1)c1ccccc1)C)C(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1.O1CCCC1
• 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: 14.357 ± 0.004 Å
• b: 19.656 ± 0.006 Å
• c: 20.951 ± 0.006 Å
• α: 70.348 ± 0.005°
• β: 89.603 ± 0.006°
• γ: 82.381 ± 0.006°
• Cell volume: 5514 ± 3 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1939
• Residual factor for significantly intense reflections: 0.0876
• Weighted residual factors for significantly intense reflections: 0.2046
• Weighted residual factors for all reflections included in the refinement: 0.242
• Goodness-of-fit parameter for all reflections included in the refinement: 0.873
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No