Information card for entry 1556732

Structure parameters

• Formula: C29.5 H24 Cl2 N2 Pd
• Calculated formula: C29.5 H24 Cl2 N2 Pd
• SMILES: [Pd]1([N](=C2C(=[N]1c1ccccc1)C1c3c(C2c2c1cccc2)cccc3)c1ccccc1)(Cl)C.ClCCl
• Title of publication: Fast and Regioselective Polymerization of para-Alkoxystyrene by Palladium Catalysts for Precision Production of High-Molecular-Weight Polystyrene Derivatives
• Authors of publication: Liao, Guangfu; Xiao, Zefan; Chen, Xiaolin; Du, Cheng; Zhong, Liu; Cheung, Chi Shing; Gao, Haiyang
• Journal of publication: Macromolecules
• Year of publication: 2019
• a: 12.1104 ± 0.0003 Å
• b: 13.4886 ± 0.0003 Å
• c: 16.6398 ± 0.0004 Å
• α: 95.854 ± 0.002°
• β: 90.584 ± 0.002°
• γ: 110.37 ± 0.002°
• Cell volume: 2531.84 ± 0.11 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 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: 0.0408
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.1005
• Weighted residual factors for all reflections included in the refinement: 0.1032
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No