Information card for entry 7120785

Structure parameters

• Formula: C22 H26 N2 O6 Pd2
• Calculated formula: C22 H26 N2 O6 Pd2
• SMILES: [Pd]12([O]=C(C)O[Pd]3([N](OC)=C(c4c3cccc4)C)[O]=C(O1)C)[N](OC)=C(c1c2cccc1)C
• Title of publication: Palladium-Catalyzed C−H Activation/C‒C Cross-Coupling Reactions via Electrochemistry
• Authors of publication: Ma, Cong; Zhao, Chuan-Qi; Li, Yi-Qian; Zhang, Li-Pu; Xu, Xuetao; Zhang, Kun; Mei, Tian-Sheng
• Journal of publication: Chem. Commun.
• Year of publication: 2017
• a: 11.837 ± 0.002 Å
• b: 15.91 ± 0.003 Å
• c: 12.607 ± 0.002 Å
• α: 90°
• β: 98.114 ± 0.004°
• γ: 90°
• Cell volume: 2350.5 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0428
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for significantly intense reflections: 0.0793
• Weighted residual factors for all reflections included in the refinement: 0.0847
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No