Information card for entry 7712101

Structure parameters

• Formula: C11 H13 Cu N O7 S
• Calculated formula: C10.95 H13 Cu N O7 S
• Title of publication: A Cu(II) MOF with laccase-like activity for colorimetric detection of 2,4-dichlorophenol and <i>p</i>-nitrophenol.
• Authors of publication: Wang, Baoru; Liu, Peng; Hu, Yixiao; Zhao, Haili; Zheng, Liyan; Cao, Qiue
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2023
• Journal volume: 52
• Journal issue: 8
• Pages of publication: 2309 - 2316
• a: 18.733 ± 0.007 Å
• b: 18.733 ± 0.007 Å
• c: 28.218 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 8576 ± 5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 166
• Hermann-Mauguin space group symbol: R -3 m :H
• Hall space group symbol: -R 3 2"
• Residual factor for all reflections: 0.1009
• Residual factor for significantly intense reflections: 0.0789
• Weighted residual factors for significantly intense reflections: 0.2173
• Weighted residual factors for all reflections included in the refinement: 0.2384
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No