Information card for entry 7055375

Structure parameters

• Formula: C26.5 H19 Cl N6 O3 S Zn
• Calculated formula: C26.5 H19 Cl N6 O3 S Zn
• SMILES: c1ccc2ccc3c4c2[n]1[Zn]12([n]4ccc3)[N](=Cc3c(ccc(c3)N(=O)=O)O1)N=C(Nc1ccccc1)S2.C(Cl)Cl
• 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: 11.906 ± 0.004 Å
• b: 15.107 ± 0.006 Å
• c: 16.009 ± 0.005 Å
• α: 65.288 ± 0.015°
• β: 73.741 ± 0.017°
• γ: 73.112 ± 0.017°
• Cell volume: 2461 ± 1.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.1826
• Residual factor for significantly intense reflections: 0.1169
• Weighted residual factors for significantly intense reflections: 0.3046
• Weighted residual factors for all reflections included in the refinement: 0.3884
• Goodness-of-fit parameter for all reflections included in the refinement: 1.341
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No