Information card for entry 4516003

Structure parameters

• Formula: C39 H38 Ag2 Br2 Cl2 N6
• Calculated formula: C39 H38 Ag2 Br2 Cl2 N6
• 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: 8.4181 ± 0.0006 Å
• b: 29.944 ± 0.002 Å
• c: 15.6855 ± 0.0009 Å
• α: 90°
• β: 108.026 ± 0.003°
• γ: 90°
• Cell volume: 3759.8 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 6
• 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: 0.0795
• Residual factor for significantly intense reflections: 0.0748
• Weighted residual factors for significantly intense reflections: 0.1795
• Weighted residual factors for all reflections included in the refinement: 0.1822
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No