Information card for entry 7709342

Structure parameters

• Formula: C10 H6 Cu N O5
• Calculated formula: C10 H6 Cu N O5
• Title of publication: A hydrostable CuII coordination network prepared hydrothermally as “turn–on” fluorescent sensor for S2– and selective adsorbent for methylene blue
• Authors of publication: Yu, XinXin; Cheng, Hao; Li, Xuan; Li, YaJun; Song, Xue-Qin
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 14.05 ± 0.0009 Å
• b: 5.0906 ± 0.0003 Å
• c: 26.2723 ± 0.0016 Å
• α: 90°
• β: 104.268 ± 0.006°
• γ: 90°
• Cell volume: 1821.1 ± 0.2 ų
• Cell temperature: 173.2 ± 0.1 K
• Ambient diffraction temperature: 173.2 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0456
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.1248
• Weighted residual factors for all reflections included in the refinement: 0.1257
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No