Information card for entry 7130625

Structure parameters

• Formula: C64 H64 Hg2 N4 O12
• Calculated formula: C64 H64 Hg2 N4 O12
• Title of publication: Dramatic Emission Enhancement of Aggregation-Induced Emission Luminogens by Dynamic Metal Coordination Bonds and Anti-Heavy-Atom Effect
• Authors of publication: Cai, Xuting; Xiong, Zuping; Zhan, Jiale; Ping, Xinni; Zhu, Yuqing; Zuo, Jiaqi; Feng, Hui; Qian, Zhaosheng
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 17.162 ± 0.0012 Å
• b: 21.5993 ± 0.0015 Å
• c: 8.1568 ± 0.0005 Å
• α: 90°
• β: 90.374 ± 0.002°
• γ: 90°
• Cell volume: 3023.6 ± 0.4 ų
• Cell temperature: 273.15 K
• Ambient diffraction temperature: 273.15 K
• Number of distinct elements: 5
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0518
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.0728
• Weighted residual factors for all reflections included in the refinement: 0.0795
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No