Information card for entry 7059394

Structure parameters

• Formula: C11 H17 Cu N5 O2 S
• Calculated formula: C11 H17 Cu N5 O2 S
• Title of publication: Cu(ii) salen and 1,2,4-triazole complexes from thiosemicarbazone: synthesis, physicochemical and structural properties and cytotoxic activities
• Authors of publication: Avcu Altiparmak, Elif; Erdemir, Gökçe; Özdemir, Namık; Kuruca, Serap Erdem; Bal-Demirci, Tülay
• Journal of publication: New Journal of Chemistry
• Year of publication: 2020
• Journal volume: 44
• Journal issue: 14
• Pages of publication: 5333 - 5342
• a: 11.2697 ± 0.0007 Å
• b: 10.9408 ± 0.0008 Å
• c: 12.1483 ± 0.0009 Å
• α: 90°
• β: 108.229 ± 0.005°
• γ: 90°
• Cell volume: 1422.71 ± 0.18 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• 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: 0.0829
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.1067
• Weighted residual factors for all reflections included in the refinement: 0.1211
• Goodness-of-fit parameter for all reflections included in the refinement: 0.941
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No