Information card for entry 7223558

Structure parameters

• Formula: C13 H16 N6 O8 S
• Calculated formula: C13 H16 N6 O8 S
• SMILES: c1(ccccc1N/N=C/1C(=O)NC(=O)NC1=O)S(=O)(=O)[O-].c1[nH]cc[nH+]1.O.O
• Title of publication: DNA and BSA Binding, Anticancer and Antimicrobial Properties of Co(II), Co(II/III), Cu(II) and Ag(I) Complexes of Arylhydrazones of Barbituric Acid
• Authors of publication: Palmucci, Jessica; Mahmudov, Kamran T.; Guedes da Silva, M. Fátima C.; Marchetti, Fabio; Pettinari, Claudio; Petrelli, Dezemona; Vitali, Luca A.; Quassinti, Luana; Bramucci, Massimo; Lupidi, Giulio; Pombeiro, Armando J. L.
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 7.1448 ± 0.0018 Å
• b: 11.28 ± 0.004 Å
• c: 12.049 ± 0.004 Å
• α: 116.777 ± 0.012°
• β: 98.803 ± 0.011°
• γ: 97.186 ± 0.011°
• Cell volume: 835.7 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0939
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for significantly intense reflections: 0.1523
• Weighted residual factors for all reflections included in the refinement: 0.1817
• Goodness-of-fit parameter for all reflections included in the refinement: 0.957
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No