Information card for entry 7056082

Structure parameters

• Formula: C19 H23 Cl N2 Pd
• Calculated formula: C19 H23 Cl N2 Pd
• SMILES: [n]12c3C(=[N]([Pd]2(Cl)C)c2c(cc(cc2C)C)C)CCCc3ccc1
• Title of publication: (Co-)polymerization of methylacrylate with NBE/1-hexene by (8-arylimino-5,6,7-trihydroquinolyl)(methyl)palladium chlorides: an approaching mechanism and the polymeric microstructures
• Authors of publication: Zeng, Yanning; Mahmood, Qaiser; Liang, Tongling; Sun, Wen-Hua
• Journal of publication: New J. Chem.
• Year of publication: 2017
• Journal volume: 41
• Journal issue: 9
• Pages of publication: 3653
• a: 8.291 ± 0.0017 Å
• b: 30.783 ± 0.006 Å
• c: 7.4857 ± 0.0015 Å
• α: 90°
• β: 111.19 ± 0.03°
• γ: 90°
• Cell volume: 1781.3 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.0371
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.0746
• Weighted residual factors for all reflections included in the refinement: 0.0789
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No