Information card for entry 1552817

Structure parameters

• Formula: C32 H33 Cl3 N2 O6 Pd
• Calculated formula: C32 H33 Cl3 N2 O6 Pd
• Title of publication: Enhancement on Alternating Copolymerization of Carbon Monoxide and Styrene by Dibenzobarrelene-Based α-Diimine Palladium Catalysts
• Authors of publication: Xiao, Zefan; Zheng, Handou; Du, Cheng; Zhong, Liu; Liao, Heng; Gao, Jie; Gao, Haiyang; Wu, Qing
• Journal of publication: Macromolecules
• Year of publication: 2018
• Journal volume: 51
• Journal issue: 22
• Pages of publication: 9110
• a: 12.1018 ± 0.0002 Å
• b: 12.1188 ± 0.0002 Å
• c: 12.3413 ± 0.0003 Å
• α: 79.358 ± 0.002°
• β: 68.593 ± 0.002°
• γ: 84.171 ± 0.002°
• Cell volume: 1654.96 ± 0.06 ų
• Cell temperature: 158.54 ± 0.1 K
• Ambient diffraction temperature: 158.54 ± 0.1 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: 0.0496
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.1263
• Weighted residual factors for all reflections included in the refinement: 0.1296
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No