Information card for entry 7134363

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: 12.3149 ± 0.0017 Å
• b: 7.8964 ± 0.0011 Å
• c: 12.79 ± 0.0017 Å
• α: 90°
• β: 112.156 ± 0.006°
• γ: 90°
• Cell volume: 1151.9 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• 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: 0.0359
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.0873
• Weighted residual factors for all reflections included in the refinement: 0.0899
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No