Information card for entry 7707813

Structure parameters

• Formula: C45 H44 Cu N4 O12 S12
• Calculated formula: C45 H44 Cu N4 O12 S12
• Title of publication: Copper-bipyridine grid frameworks incorporating redox-active tetrathiafulvalene: structures and supercapacitance
• Authors of publication: Zhou, Zi-Yao; Ge, Chen-Yi; Jiang, Miao; Hou, Jin-Le; Zhu, Qin-Yu; Dai, Jie
• Journal of publication: Dalton Transactions
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 32
• Pages of publication: 11091 - 11098
• a: 8.4066 ± 0.0007 Å
• b: 26.39 ± 0.002 Å
• c: 24.841 ± 0.002 Å
• α: 90°
• β: 94.326 ± 0.003°
• γ: 90°
• Cell volume: 5495.3 ± 0.8 ų
• Cell temperature: 192 ± 2 K
• Ambient diffraction temperature: 192 ± 2 K
• Number of distinct elements: 6
• 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: 0.0929
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for significantly intense reflections: 0.0976
• Weighted residual factors for all reflections included in the refinement: 0.1109
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No