Information card for entry 7713239

Structure parameters

• Chemical name: Zn-Mannu
• Formula: C19 H29 Br N10 O3 S2 Zn
• Calculated formula: C19 H28 Br N10 O3 S2 Zn
• 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: 8.1195 ± 0.0004 Å
• b: 8.5613 ± 0.0004 Å
• c: 9.9222 ± 0.0004 Å
• α: 97.183 ± 0.002°
• β: 109.571 ± 0.002°
• γ: 99.479 ± 0.002°
• Cell volume: 628.84 ± 0.05 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0393
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.0843
• Weighted residual factors for all reflections included in the refinement: 0.088
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0658
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No