Information card for entry 4082714

Structure parameters

• Formula: C113 H114 Cl2 N16 O16 Pd8
• Calculated formula: C113 H114 Cl2 N16 O16 Pd8
• Title of publication: Palladium(II)-Catalyzed Direct Ortho Arylation of 4-Methyl-N-phenylpyridin-2-amines via C‒H Activation/C‒C Coupling and Synthetic Applications
• Authors of publication: Chu, Jean-Ho; Huang, Hao-Ping; Hsu, Wen-Ting; Chen, Shih-Tien; Wu, Ming-Jung
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 5
• Pages of publication: 1190
• a: 15.023 ± 0.003 Å
• b: 24.029 ± 0.004 Å
• c: 16.748 ± 0.003 Å
• α: 90°
• β: 108.51 ± 0.004°
• γ: 90°
• Cell volume: 5733.1 ± 1.8 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• 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: 0.1108
• Residual factor for significantly intense reflections: 0.0542
• Weighted residual factors for significantly intense reflections: 0.1457
• Weighted residual factors for all reflections included in the refinement: 0.1678
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No