Information card for entry 7134248

Structure parameters

• Chemical name: iHOF
• Formula: C144 H258 N28 O112 S12
• Calculated formula: C144 H258 N28 O112 S12
• 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: 15.89692 ± 0.00019 Å
• b: 24.3336 ± 0.0003 Å
• c: 31.3004 ± 0.0004 Å
• α: 82.4312 ± 0.0011°
• β: 76.3819 ± 0.0011°
• γ: 78.0115 ± 0.0011°
• Cell volume: 11467.1 ± 0.3 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 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: 0.209
• Residual factor for significantly intense reflections: 0.1938
• Weighted residual factors for significantly intense reflections: 0.5088
• Weighted residual factors for all reflections included in the refinement: 0.5198
• Goodness-of-fit parameter for all reflections included in the refinement: 2.32
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No