Information card for entry 7129508

Structure parameters

• Formula: C24 H20 Cl6 Cu4 N4 O5
• Calculated formula: C24 H20 Cl6 Cu4 N4 O5
• SMILES: [Cu]123([Cl][Cu]45([Cl][Cu]6([Cl][Cu]([Cl]1)([Cl]4)([O]356)[n]1cccc(c1)C=O)([Cl]2)[n]1cc(ccc1)C=O)[n]1cc(ccc1)C=O)[n]1cccc(C=O)c1
• Title of publication: Tetrakaidecahedron-shaped Cu four-core supramolecular as novel high-performance electrode material for lithium-ion batteries
• Authors of publication: Chen, Xueli; Chen, Kongyao; Li, Gaojie; Huang, Chao; Zhang, Ying-Ying; Feng, Yanling; Qin, Na; Luo, Jiahuan; Chen, Weihua; Mi, Liwei
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 12.709 ± 0.009 Å
• b: 12.889 ± 0.009 Å
• c: 13.598 ± 0.008 Å
• α: 90°
• β: 91.23 ± 0.02°
• γ: 90°
• Cell volume: 2227 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0699
• Residual factor for significantly intense reflections: 0.0674
• Weighted residual factors for significantly intense reflections: 0.2186
• Weighted residual factors for all reflections included in the refinement: 0.2245
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No