Information card for entry 7222363

Structure parameters

• Formula: C20 H42 Co N8 O26 S2
• Calculated formula: C20 H42 Co N8 O26 S2
• SMILES: c1(c(cccc1)S(=O)(=O)[O-])NN=C1C(=O)NC(=O)NC1=O.O.[OH2][Co]([OH2])([OH2])([OH2])([OH2])[OH2].O.O.O.c1(c(cccc1)S(=O)(=O)[O-])NN=C1C(=O)NC(=O)NC1=O.O.O.O.O
• Title of publication: Arylhydrazones of Barbituric Acid: synthesis, coordination ability and catalytic activity of their CoII/III and CuII complexes toward peroxidative oxidation of alkanes
• Authors of publication: Palmucci, Jessica; Mahmudov, Kamran T.; Guedes da Silva, M. Fátima C.; Martins, Luísa Margarida; Marchetti, Fabio; Pettinari, Claudio; Pombeiro, Armando J. L.
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 15.8042 ± 0.0006 Å
• b: 6.596 ± 0.0002 Å
• c: 18.5585 ± 0.0006 Å
• α: 90°
• β: 96.609 ± 0.001°
• γ: 90°
• Cell volume: 1921.77 ± 0.11 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0584
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.1237
• Weighted residual factors for all reflections included in the refinement: 0.1331
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No