Information card for entry 7713240

Structure parameters

• Formula: C18 H24 Cu N10 O2 S2
• Calculated formula: C18 H24 Cu N10 O2 S2
• Title of publication: Isolation of potassium salt of oxadiazole-2-thione and In Vitro Anticancer Activities of its Cu(II) and Zn(II) complexes against MDA-MB-231 human breast carcinoma cells
• Authors of publication: Gond, M. K.; Rai, Nilesh; Chandra, Brijesh; Gautam, Vibhav; Garai, Somenath; Butcher, R. J.; Bharty, Manoj K.
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 10.9088 ± 0.0014 Å
• b: 10.2087 ± 0.0009 Å
• c: 11.9734 ± 0.0014 Å
• α: 90°
• β: 114.208 ± 0.005°
• γ: 90°
• Cell volume: 1216.2 ± 0.2 ų
• Cell temperature: 566 ± 2 K
• Ambient diffraction temperature: 566 ± 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: 0.0429
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.1098
• Weighted residual factors for all reflections included in the refinement: 0.117
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No