Information card for entry 7055380

Structure parameters

• Formula: C24 H18 N6 O3 S Zn
• Calculated formula: C24 H18 N6 O3 S Zn
• SMILES: [Zn]123(SC(Nc4ccccc4)=N[N]3=Cc3c(O1)ccc(N(=O)=O)c3)[n]1ccccc1c1[n]2cccc1
• Title of publication: Synthesis, spectroscopy, structures and antimicrobial activity of mixed-ligand zinc(ii) complexes of 5-nitro-salicylaldehyde thiosemicarbazones
• Authors of publication: Indoria, Shikha; Lobana, Tarlok S.; Sood, Henna; Arora, Daljit S.; Hundal, Geeta; Jasinski, Jerry P.
• Journal of publication: New J. Chem.
• Year of publication: 2016
• Journal volume: 40
• Journal issue: 4
• Pages of publication: 3642
• a: 9.7377 ± 0.0013 Å
• b: 10.8604 ± 0.0012 Å
• c: 11.9599 ± 0.0015 Å
• α: 67.51 ± 0.011°
• β: 76.142 ± 0.011°
• γ: 76.077 ± 0.011°
• Cell volume: 1118.9 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0416
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.1045
• Weighted residual factors for all reflections included in the refinement: 0.1078
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No