Information card for entry 7130623

Structure parameters

• Formula: C54 H54 Cd N4 O8
• Calculated formula: C54 H54 Cd N4 O8
• 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: 9.817 ± 0.0005 Å
• b: 9.5192 ± 0.0005 Å
• c: 26.5971 ± 0.0012 Å
• α: 90°
• β: 96.935 ± 0.002°
• γ: 90°
• Cell volume: 2467.3 ± 0.2 ų
• Cell temperature: 273.15 K
• Ambient diffraction temperature: 273.15 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0455
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for significantly intense reflections: 0.0778
• Weighted residual factors for all reflections included in the refinement: 0.086
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No