Information card for entry 7134364

Structure parameters

• Formula: C16 H24 N12 O8 S2
• Calculated formula: C16 H24 N12 O8 S2
• Title of publication: Anthraquinone substituents modulate ionic hydrogen-bonded organic frameworks to achieve high ionic conductivity for alkali metal ions
• Authors of publication: Chen, Xu-Yong; Fei, Guiqiang; Bai, Xiang-Tian; Qi, Simeng; Cao, Xiao-Jie; Gao, Yi-Da; Luo, Xin; Cao, Li-Hui
• Journal of publication: Chemical Communications
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 35
• Pages of publication: 6538 - 6541
• a: 6.8832 ± 0.0001 Å
• b: 14.6525 ± 0.0002 Å
• c: 23.2897 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2348.91 ± 0.06 ų
• Cell temperature: 212.99 ± 0.1 K
• Ambient diffraction temperature: 212.99 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0421
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.1094
• Weighted residual factors for all reflections included in the refinement: 0.1127
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No