Information card for entry 4516004

Structure parameters

• Formula: C32 H34 Ag2 Br2 N4
• Calculated formula: C32 H34 Ag2 Br2 N4
• SMILES: [Ag](Br)=C1N(CC=C)c2c(N1Cc1c(c(c(c(c1C)C)CN1c3c(N(C1=[Ag]Br)CC=C)cccc3)C)C)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: 13.0472 ± 0.001 Å
• b: 12.5773 ± 0.001 Å
• c: 18.2141 ± 0.0015 Å
• α: 90°
• β: 90.564 ± 0.001°
• γ: 90°
• Cell volume: 2988.8 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173.15 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: 0.0423
• Residual factor for significantly intense reflections: 0.0314
• Weighted residual factors for significantly intense reflections: 0.0733
• Weighted residual factors for all reflections included in the refinement: 0.0782
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No