Information card for entry 1550145

Structure parameters

• Formula: C49 H40 N2 O2 Pd
• Calculated formula: C49 H40 N2 O2 Pd
• SMILES: [Pd]1(N(C2C(=[O]1)c1c(C(=O)C=2)cccc1)c1c(cc(cc1C(c1ccccc1)c1ccccc1)C)C(c1ccccc1)c1ccccc1)([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: 10.4912 ± 0.0004 Å
• b: 13.4734 ± 0.0006 Å
• c: 14.7253 ± 0.0006 Å
• α: 94.369 ± 0.002°
• β: 109.58 ± 0.002°
• γ: 90.382 ± 0.002°
• Cell volume: 1954.24 ± 0.14 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300.11 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0657
• Residual factor for significantly intense reflections: 0.0563
• Weighted residual factors for significantly intense reflections: 0.1181
• Weighted residual factors for all reflections included in the refinement: 0.1233
• Goodness-of-fit parameter for all reflections included in the refinement: 1.142
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No