Information card for entry 1566885

Structure parameters

• Formula: C H N O S
• Calculated formula: C2.49351 N0.311688 O0.0909091 S0.0519481
• Title of publication: Supramolecular Cuboctahedra with Aggregation-Induced Emission Enhancement and External Binding Ability
• Authors of publication: Zhang, Zhe; Bai, Qixia; Manandhar, Erendra; Zeng, Yunting; Wu, Tun; Wang, Ming; Yao, Liao-Yuan; Newkome, George R.; Wang, Pingshan; Xie, Tingzheng
• Journal of publication: Chemical Science
• Year of publication: 2022
• a: 9.1813 ± 0.0008 Å
• b: 32.2736 ± 0.0014 Å
• c: 40.651 ± 0.003 Å
• α: 90°
• β: 96.354 ± 0.008°
• γ: 90°
• Cell volume: 11971.5 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 8
• Hermann-Mauguin space group symbol: C 1 m 1
• Hall space group symbol: C -2y
• Residual factor for all reflections: 0.4547
• Residual factor for significantly intense reflections: 0.2743
• Weighted residual factors for significantly intense reflections: 0.5503
• Weighted residual factors for all reflections included in the refinement: 0.5918
• Goodness-of-fit parameter for all reflections included in the refinement: 2.242
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No