Information card for entry 7061507

Structure parameters

• Formula: C17 H23 Cl Cu N4 O6
• Calculated formula: C17 H23 Cl Cu N4 O6
• SMILES: [Cu]12(Oc3c(OC)cccc3C=[N]1CC1[NH]2CCCC1)[n]1c[nH]cc1.Cl(=O)(=O)(=O)[O-]
• Title of publication: Significant photodegradation of carcinogenic organic dyes by a 1D supramolecular heteroleptic Cu(ii) complex under sunlight irradiation
• Authors of publication: Kuila, Arun; Maity, Ribhu; Acharya, Prasun; Brandao, Paula; Maity, Tithi; Sepay, Nayim; Samanta, Bidhan Chandra
• Journal of publication: New Journal of Chemistry
• Year of publication: 2022
• Journal volume: 46
• Journal issue: 24
• Pages of publication: 11804 - 11811
• a: 7.5573 ± 0.0005 Å
• b: 11.0009 ± 0.0009 Å
• c: 12.5651 ± 0.0009 Å
• α: 94.097 ± 0.003°
• β: 107.313 ± 0.003°
• γ: 100.799 ± 0.003°
• Cell volume: 970.58 ± 0.13 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0289
• Residual factor for significantly intense reflections: 0.0249
• Weighted residual factors for significantly intense reflections: 0.0637
• Weighted residual factors for all reflections included in the refinement: 0.0662
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No