Information card for entry 1550144

Structure parameters

• Formula: C28 H30 N2 O2 Pd
• Calculated formula: C28 H30 N2 O2 Pd
• SMILES: [Pd]1(N(C2C(=[O]1)c1ccccc1C(=O)C=2)c1c(cccc1C(C)C)C(C)C)([n]1ccccc1)C
• Title of publication: Efficient ethylene copolymerization with polar monomers using palladium anilinonaphthoquinone catalysts
• Authors of publication: Ding, Lin; Cheng, Hailong; Li, Yanqing; Tanaka, Ryo; Shiono, Takeshi; Cai, Zhengguo
• Journal of publication: Polymer Chemistry
• Year of publication: 2018
• Journal volume: 9
• Journal issue: 45
• Pages of publication: 5476
• a: 15.029 ± 0.0008 Å
• b: 21.2571 ± 0.0008 Å
• c: 15.4985 ± 0.0007 Å
• α: 90°
• β: 94.786 ± 0.002°
• γ: 90°
• Cell volume: 4934.1 ± 0.4 ų
• Cell temperature: 303 ± 2 K
• Ambient diffraction temperature: 303.02 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.093
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.0872
• Weighted residual factors for all reflections included in the refinement: 0.1075
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No