Information card for entry 4516002

Structure parameters

• Formula: C40 H40 Ag2 Br4 N4
• Calculated formula: C40 H40 Ag2 Br4 N4
• 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: 11.398 ± 0.003 Å
• b: 13.023 ± 0.003 Å
• c: 18.513 ± 0.004 Å
• α: 100.166 ± 0.004°
• β: 103.867 ± 0.004°
• γ: 110.924 ± 0.004°
• Cell volume: 2385.6 ± 1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1238
• Residual factor for significantly intense reflections: 0.0855
• Weighted residual factors for significantly intense reflections: 0.2535
• Weighted residual factors for all reflections included in the refinement: 0.2918
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No