Information card for entry 7217224

Structure parameters

• Formula: C20 H16 Cu N2 O4
• Calculated formula: C20 H16 Cu N2 O4
• Title of publication: Copper(II) induced oxidative modification and complexation of a Schiff base Ligand: synthesis, crystal structure, catalytic oxidation of aromatic hydrocarbons and DFT calculation
• Authors of publication: Mahammad, Ali; Biswas, Surajit; Dutta, Arpan; Debnath, Mainak; Dolai, Malay; Jana, Atisdipankar
• Journal of publication: RSC Advances
• Year of publication: 2014
• a: 12.616 ± 0.0004 Å
• b: 23.0976 ± 0.0008 Å
• c: 7.088 ± 0.0003 Å
• α: 90°
• β: 102.372 ± 0.002°
• γ: 90°
• Cell volume: 2017.47 ± 0.13 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• 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: 0.108
• Residual factor for significantly intense reflections: 0.0772
• Weighted residual factors for significantly intense reflections: 0.245
• Weighted residual factors for all reflections included in the refinement: 0.2677
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No