Information card for entry 7709198

Structure parameters

• Formula: C12 H9 Cu N6 O4 S
• Calculated formula: C12 H9 Cu N6 O4 S
• 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: 20.6518 ± 0.0004 Å
• b: 9.8071 ± 0.0002 Å
• c: 15.1637 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3071.17 ± 0.11 ų
• Cell temperature: 100.15 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0811
• Residual factor for significantly intense reflections: 0.0757
• Weighted residual factors for significantly intense reflections: 0.2535
• Weighted residual factors for all reflections included in the refinement: 0.2619
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No