Information card for entry 1513762

Structure parameters

• Formula: C34 H33 Cl3 N2 Pd
• Calculated formula: C34 H33 Cl3 N2 Pd
• SMILES: [Pd]1([N](=C2C(C3c4c(C2c2c3cccc2)cccc4)=[N]1c1c(C)cccc1C)c1c(cccc1C)C)(Cl)C.C(Cl)Cl
• 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: 11.7926 ± 0.0008 Å
• b: 9.4147 ± 0.0006 Å
• c: 14.555 ± 0.001 Å
• α: 90°
• β: 101.906 ± 0.001°
• γ: 90°
• Cell volume: 1581.19 ± 0.18 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.0227
• Residual factor for significantly intense reflections: 0.0213
• Weighted residual factors for significantly intense reflections: 0.0564
• Weighted residual factors for all reflections included in the refinement: 0.0575
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No