Information card for entry 7226396

Structure parameters

• Formula: C15 H14 Cu N2 O8 S
• Calculated formula: C15 H14 Cu N2 O8 S
• SMILES: c12ccccc1[N]1=NC3=C(c4c(C3=O)cccc4)O[Cu]1([OH2])([OH2])OS2(=O)=O.O
• Title of publication: Mononuclear Copper(II) Complexes of Arylhydrazone of 1H-Indene-1,3(2H)-dione as Catalysts for the Oxidation of 1-Phenylethanol in Ionic Liquid Medium
• Authors of publication: Tiago, Gonçalo A. O.; Ribeiro, Ana; Mahmudov, Kamran T.; Guedes da Silva, M. Fátima C.; Branco, Luis C.; Pombeiro, Armando J. L.
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 8.9126 ± 0.0007 Å
• b: 10.0253 ± 0.0007 Å
• c: 18.9226 ± 0.0016 Å
• α: 90°
• β: 90.499 ± 0.003°
• γ: 90°
• Cell volume: 1690.7 ± 0.2 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0741
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.1246
• Weighted residual factors for all reflections included in the refinement: 0.1329
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No