Information card for entry 7057551

Structure parameters

• Formula: C47 H44 F12 Hg N4 O8 P2
• Calculated formula: C47 H44 F12 Hg N4 O8 P2
• 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: 21.023 ± 0.004 Å
• b: 12.719 ± 0.003 Å
• c: 18.421 ± 0.005 Å
• α: 90°
• β: 100.675 ± 0.005°
• γ: 90°
• Cell volume: 4840 ± 2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 7
• 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: 0.0512
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.0884
• Weighted residual factors for all reflections included in the refinement: 0.093
• 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: No
• Has Fobs: No