Information card for entry 4516005

Structure parameters

• Formula: C30 H34 Cl4 N4 Pd2
• Calculated formula: C30 H34 Cl4 N4 Pd2
• SMILES: [Pd]12(Cl)[Cl][Pd](Cl)([Cl]1)=C1N(Cc3c(c(c(CN4c5c(N(C=24)CC)cccc5)c(c3C)C)C)C)c2c(N1CC)cccc2
• Title of publication: NHC Pd(II) and Ag(I) Complexes: Synthesis, Structure, and Catalytic Activity in Three Types of C-C Coupling Reactions.
• Authors of publication: Liu, Qing-Xiang; Hu, Ze-Liang; Yu, Shao-Cong; Zhao, Zhi-Xiang; Wei, Deng-Che; Li, Hui-Long
• Journal of publication: ACS omega
• Year of publication: 2018
• Journal volume: 3
• Journal issue: 4
• Pages of publication: 4035 - 4047
• a: 20.0687 ± 0.0014 Å
• b: 8.9504 ± 0.0006 Å
• c: 18.1404 ± 0.0013 Å
• α: 90°
• β: 106.464 ± 0.001°
• γ: 90°
• Cell volume: 3124.8 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0451
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.1128
• Weighted residual factors for all reflections included in the refinement: 0.1166
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No