Information card for entry 7134247

Structure parameters

• Formula: C98 H166 N16 O71 S8
• Calculated formula: C98 H165.998 N16 O70.999 S8
• Title of publication: Multi-hydrophilic groups synergistic assembly ionic HOFs with multiple-water clusters and superprotonic single-crystal conductivity.
• Authors of publication: Li, Shu-Hui; Cao, Li-Hui; Zhang, Wenmin; Bai, Xiang-Tian; Chen, Xu-Yong
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 20
• Pages of publication: 4034 - 4037
• a: 13.8167 ± 0.0005 Å
• b: 16.0738 ± 0.0006 Å
• c: 32.1757 ± 0.0012 Å
• α: 102.88 ± 0.0019°
• β: 95.113 ± 0.002°
• γ: 95.376 ± 0.002°
• Cell volume: 6890.7 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0947
• Residual factor for significantly intense reflections: 0.0809
• Weighted residual factors for significantly intense reflections: 0.219
• Weighted residual factors for all reflections included in the refinement: 0.2404
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No