Information card for entry 7709199

Structure parameters

• Formula: C4 H4 Cu0.25 N2 O3 S0.5
• Calculated formula: C4 H4 Cu0.25 N2 O3 S0.5
• Title of publication: A proton-conductive metal-organic framework based on imidazole and sulphate ligands.
• Authors of publication: Mi, Fu-Qi; Ma, Fa-Xue; Zou, Shui-Xiang; Zhan, Dong-Sun; Zhang, Teng
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2022
• Journal volume: 51
• Journal issue: 4
• Pages of publication: 1313 - 1317
• a: 9.946 ± 0.003 Å
• b: 16.293 ± 0.005 Å
• c: 6.924 ± 0.002 Å
• α: 90°
• β: 91.321 ± 0.015°
• γ: 90°
• Cell volume: 1121.7 ± 0.6 ų
• Cell temperature: 250 ± 2 K
• Ambient diffraction temperature: 249.95 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1538
• Residual factor for significantly intense reflections: 0.0924
• Weighted residual factors for significantly intense reflections: 0.2373
• Weighted residual factors for all reflections included in the refinement: 0.277
• Goodness-of-fit parameter for all reflections included in the refinement: 1.127
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No