Information card for entry 1573170

Structure parameters

• Common name: CityU-26
• Formula: C86 H56 B4 N4 O8 S4
• Calculated formula: C86 H56 B4 N4 O8 S4
• Title of publication: A tetrathiafulvalene-containing covalent organic nanobelt: preparation, crystal structure and application for sodium-ion batteries.
• Authors of publication: Wang, Xin; Zhang, Yuchan; Zhang, Lei; Gu, Qianfeng; Liu, Qi; Ren, Yang; Lee, Chun Sin; Zhang, Qichun
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 48
• Pages of publication: 20397 - 20402
• a: 16.3894 ± 0.0003 Å
• b: 17.8532 ± 0.0004 Å
• c: 20.0109 ± 0.0005 Å
• α: 65.46 ± 0.002°
• β: 79.648 ± 0.002°
• γ: 73.025 ± 0.002°
• Cell volume: 5082.8 ± 0.2 ų
• Cell temperature: 300 K
• Ambient diffraction temperature: 300 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1304
• Residual factor for significantly intense reflections: 0.1041
• Weighted residual factors for significantly intense reflections: 0.3175
• Weighted residual factors for all reflections included in the refinement: 0.3509
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No