Information card for entry 7059612

Structure parameters

• Formula: C34 H24 F6 N6 O4 S4 Zn2
• Calculated formula: C34 H24 F6 N6 O4 S4 Zn2
• Title of publication: Structural characterization of new zinc(ii) complexes with N2O2 chelating thiosemicarbazidato ligands; investigation of the relationship between their DNA interaction and in vitro antiproliferative activity towards human cancer cells
• Authors of publication: Kaya, Büşra; Yılmaz, Zehra Kübra; Şahin, Onur; Aslim, Belma; Ülküseven, Bahri
• Journal of publication: New Journal of Chemistry
• Year of publication: 2020
• Journal volume: 44
• Journal issue: 22
• Pages of publication: 9313 - 9320
• a: 14.1261 ± 0.0009 Å
• b: 7.7839 ± 0.0004 Å
• c: 18.0397 ± 0.0011 Å
• α: 90°
• β: 108.359 ± 0.003°
• γ: 90°
• Cell volume: 1882.62 ± 0.19 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.0813
• Residual factor for significantly intense reflections: 0.0667
• Weighted residual factors for significantly intense reflections: 0.1187
• Weighted residual factors for all reflections included in the refinement: 0.1241
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1225
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No