Information card for entry 1565158

Structure parameters

• Formula: C19 H15 Cl3 Cu N6 O3 S2
• Calculated formula: C19 H15 Cl3 Cu N6 O3 S2
• Title of publication: Synthesis, Characterisation and Crystal structure of a New Cu(II)-carboxamide Complex and CuO nanoparticles as New Catalysts in the CuAAC reaction and Investigation of their Antibacterial activity
• Authors of publication: Kiani, Mahsa; Bagherzadeh, Mojtaba; Meghdadi, Soraia; Fadaei-Tirani, Farzaneh; Babaie, Maryam; Schenk-Joß, Kurt
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2020
• Journal volume: 506
• Pages of publication: 119514
• a: 9.8921 ± 0.0006 Å
• b: 14.3386 ± 0.0006 Å
• c: 16.9234 ± 0.0011 Å
• α: 90°
• β: 92.123 ± 0.005°
• γ: 90°
• Cell volume: 2398.7 ± 0.2 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0968
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.0842
• Weighted residual factors for all reflections included in the refinement: 0.1026
• Goodness-of-fit parameter for all reflections included in the refinement: 0.898
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No