Information card for entry 7219356

Structure parameters

• Formula: C24 H18 Cu N6 O3 S
• Calculated formula: C24 H18 Cu N6 O3 S
• SMILES: c1cccc2c3cccc[n]3[Cu]34([n]12)[N](=Cc1c(ccc(c1)N(=O)=O)O3)N=C(Nc1ccccc1)S4
• Title of publication: Synthesis and structures of 5-Nitro-salicylaldehyde thiosemicarbazonates of Copper(II) : molecular spectroscopy, ESI-mass, antimicrobial activity and cytotoxicity
• Authors of publication: Lobana, Tarlok Singh; Indoria, Shikha Indoria; Kaur, Harpreet; Arora, Daljit; Jassal, Amanpreet K.; Jasinski, Jerry P.
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 7.8808 ± 0.0006 Å
• b: 10.9146 ± 0.0009 Å
• c: 14.086 ± 0.0009 Å
• α: 99.182 ± 0.003°
• β: 94.515 ± 0.003°
• γ: 102.572 ± 0.003°
• Cell volume: 1159.29 ± 0.15 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: 0.045
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for significantly intense reflections: 0.0911
• Weighted residual factors for all reflections included in the refinement: 0.0986
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No