Information card for entry 7237676

Structure parameters

• Chemical name: TKU-1
• Formula: C14 H14 Cu N4 O6
• Calculated formula: C14 H14 Cu N4 O6
• Title of publication: Elucidating metal and ligand redox activities of a copper-benzoquinoid coordination polymer as the cathode for lithium-ion batteries
• Authors of publication: Chang, Cheng-Han; Li, An-Che; Popovs, Ilja; Kaveevivitchai, Watchareeya; Chen, Jeng-Lung; Chou, Kai-Chun; Kuo, Ting-Shen; Chen, Teng-Hao
• Journal of publication: Journal of Materials Chemistry A
• Year of publication: 2019
• Journal volume: 7
• Journal issue: 41
• Pages of publication: 23770
• a: 6 ± 0.002 Å
• b: 7.988 ± 0.003 Å
• c: 8.967 ± 0.004 Å
• α: 75.72 ± 0.014°
• β: 76.573 ± 0.014°
• γ: 88.048 ± 0.012°
• Cell volume: 405 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0255
• Residual factor for significantly intense reflections: 0.0237
• Weighted residual factors for significantly intense reflections: 0.0595
• Weighted residual factors for all reflections included in the refinement: 0.0605
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No