Information card for entry 7057550

Structure parameters

• Formula: C34 H36 Br2 Hg N6 O3
• Calculated formula: C34 H36 Br2 Hg N6 O3
• Title of publication: NHC Hg(ii) and Pd(ii) complexes based on 1,8-dihydroxy-9,10-anthraquinone: synthesis, structure and catalysis
• Authors of publication: Zhao, Zhi-Xiang; Hu, Ze-Liang; Yu, Shao-Cong; Liu, Qing-Xiang
• Journal of publication: New Journal of Chemistry
• Year of publication: 2018
• Journal volume: 42
• Journal issue: 16
• Pages of publication: 13329
• a: 15.398 ± 0.002 Å
• b: 21.286 ± 0.003 Å
• c: 12.4804 ± 0.0016 Å
• α: 90°
• β: 112.258 ± 0.002°
• γ: 90°
• Cell volume: 3785.8 ± 0.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0382
• Residual factor for significantly intense reflections: 0.0336
• Weighted residual factors for significantly intense reflections: 0.0861
• Weighted residual factors for all reflections included in the refinement: 0.0891
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No