Information card for entry 7041040

Structure parameters

• Formula: C24 H20 Cu N2 O5
• Calculated formula: C24 H20 Cu N2 O5
• SMILES: [Cu]1(OC(=O)c2ccccc2)(OC(=O)c2ccccc2)([OH2])[n]2ccccc2c2[n]1cccc2
• Title of publication: A new five-coordinated copper compound for efficient degradation of methyl orange and Congo red in the absence of UV-visible radiation.
• Authors of publication: Han, Li-Juan; Kong, Ya-Jie; Yan, Ting-Jiang; Fan, Lu-Tong; Zhang, Qi; Zhao, Hua-Jun; Zheng, He-Gen
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 46
• Pages of publication: 18566 - 18571
• a: 6.983 ± 0.0007 Å
• b: 18.8482 ± 0.0017 Å
• c: 17.0174 ± 0.0016 Å
• α: 90°
• β: 97.969 ± 0.001°
• γ: 90°
• Cell volume: 2218.1 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0367
• Residual factor for significantly intense reflections: 0.0304
• Weighted residual factors for significantly intense reflections: 0.0785
• Weighted residual factors for all reflections included in the refinement: 0.0812
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No