Information card for entry 1513763

Structure parameters

• Formula: C35 H35 Cl N2 Pd
• Calculated formula: C35 H35 Cl N2 Pd
• SMILES: [Pd]1([N](=C2C(=[N]1c1c(cc(cc1C)C)C)C1c3ccccc3C2c2c1cccc2)c1c(cc(cc1C)C)C)(Cl)C
• Title of publication: Substituent effects and activation mechanism of norbornene polymerization catalyzed by three-dimensional geometry α-diimine palladium complexes
• Authors of publication: Huo, Ping; Liu, Wanyun; He, Xiaohui; Wei, Zhenhong; Chen, Yiwang
• Journal of publication: Polymer Chemistry
• Year of publication: 2014
• Journal volume: 5
• Journal issue: 4
• Pages of publication: 1210
• a: 12.0765 ± 0.001 Å
• b: 19.5745 ± 0.0017 Å
• c: 12.7667 ± 0.0011 Å
• α: 90°
• β: 90.899 ± 0.001°
• γ: 90°
• Cell volume: 3017.6 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0367
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for significantly intense reflections: 0.1213
• Weighted residual factors for all reflections included in the refinement: 0.1274
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No