Information card for entry 7055378

Structure parameters

• Formula: C20 H18 N6 O3 S Zn
• Calculated formula: C20 H18 N6 O3 S Zn
• SMILES: c1cccc2c3cccc[n]3[Zn]34([n]12)[N](=Cc1c(ccc(c1)N(=O)=O)O3)N=C(NCC)S4
• 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: 22.2366 ± 0.0008 Å
• b: 12.0486 ± 0.0005 Å
• c: 17.9814 ± 0.0006 Å
• α: 90°
• β: 114.994 ± 0.0012°
• γ: 90°
• Cell volume: 4366.4 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0561
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.0844
• Weighted residual factors for all reflections included in the refinement: 0.0942
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No