Information card for entry 7055379

Structure parameters

• Formula: C24 H21 N7 O3 S Zn
• Calculated formula: C24 H21 N7 O3 S Zn
• SMILES: c1ccc2c3c4c(ccc[n]4[Zn]45([n]13)[N](=Cc1c(ccc(c1)N(=O)=O)O4)N=C(NCC)S5)cc2.CC#N
• 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: 7.9317 ± 0.0014 Å
• b: 11.671 ± 0.002 Å
• c: 14.471 ± 0.003 Å
• α: 111.165 ± 0.009°
• β: 91.581 ± 0.01°
• γ: 102.581 ± 0.009°
• Cell volume: 1210.9 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1074
• Residual factor for significantly intense reflections: 0.0875
• Weighted residual factors for significantly intense reflections: 0.2298
• Weighted residual factors for all reflections included in the refinement: 0.2389
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No