Information card for entry 7055377

Structure parameters

• Formula: C21 H16 N6 O3 S Zn
• Calculated formula: C21 H16 N6 O3 S Zn
• SMILES: c1ccc2ccc3ccc[n]4c3c2[n]1[Zn]124[N](=Cc3c(ccc(c3)N(=O)=O)O1)N=C(NC)S2
• 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: 6.0475 ± 0.0006 Å
• b: 12.1271 ± 0.0011 Å
• c: 14.1409 ± 0.0015 Å
• α: 86.254 ± 0.003°
• β: 82.737 ± 0.004°
• γ: 81.271 ± 0.003°
• Cell volume: 1015.71 ± 0.17 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0552
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.0885
• Weighted residual factors for all reflections included in the refinement: 0.0972
• Goodness-of-fit parameter for all reflections included in the refinement: 0.987
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No