Information card for entry 7064202

Structure parameters

• Formula: C18 H26 Cu N4 O12 S2
• Calculated formula: C18 H26 Cu N4 O12 S2
• Title of publication: Proton conductivity and dielectric anomalies in a chain-based metal-organic framework with a hydrogen-bonded network of [SO3] groups, pyrazine and water molecules
• Authors of publication: He, Jiechen; Chen, Feirong; Lin, Chenxin; Chen, Yaozong; Liu, Lizhen; Yao, Zizhu
• Journal of publication: New Journal of Chemistry
• Year of publication: 2026
• a: 27.395 ± 0.002 Å
• b: 6.8515 ± 0.0006 Å
• c: 13.3173 ± 0.0012 Å
• α: 90°
• β: 91.411 ± 0.009°
• γ: 90°
• Cell volume: 2498.9 ± 0.4 ų
• Cell temperature: 291 ± 3 K
• Ambient diffraction temperature: 291 ± 3 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.1357
• Residual factor for significantly intense reflections: 0.0915
• Weighted residual factors for significantly intense reflections: 0.2747
• Weighted residual factors for all reflections included in the refinement: 0.3257
• Goodness-of-fit parameter for all reflections included in the refinement: 1.115
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No