Information card for entry 4518898

Structure parameters

• Formula: C256 H248 N8 O84 S16 Zn16
• Calculated formula: C256 H240 N8 O84 S16 Zn16
• Title of publication: Decahexanuclear Zinc(II) Coordination Container Featuring a Flexible Tetracarboxylate Ligand: A Self-Assembly Supermolecule for Highly Efficient Drug Delivery of Anti-Inflammatory Agents.
• Authors of publication: He, Can; Chen, Xuzhuo; Sun, Cheng-Zhe; Zhang, Li-Yi; Xu, Weifeng; Zhang, Shanyong; Wang, Zhenqiang; Dai, Feng-Rong
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2021
• Journal volume: 13
• Journal issue: 29
• Pages of publication: 33812 - 33820
• a: 26.4005 ± 0.0007 Å
• b: 17.3776 ± 0.0008 Å
• c: 47.1016 ± 0.0008 Å
• α: 90°
• β: 96.7506 ± 0.0019°
• γ: 90°
• Cell volume: 21459.3 ± 1.2 ų
• Cell temperature: 105 ± 8 K
• Ambient diffraction temperature: 105 ± 8 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1349
• Residual factor for significantly intense reflections: 0.0931
• Weighted residual factors for significantly intense reflections: 0.2318
• Weighted residual factors for all reflections included in the refinement: 0.259
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 1.3405 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No