Information card for entry 7062899

Structure parameters

• Formula: C14 H15 Cu N5 O6
• Calculated formula: C14 H15 Cu N5 O6
• SMILES: c1cncc2C(C)=[N]3[Cu]([n]12)(OC(=N3)c1ccc(cc1)OC)([OH2])ON(=O)=O
• Title of publication: Synthesis, spectral characterization, and catalytic efficiency of aroylhydrazone-based Cu(ii) complexes
• Authors of publication: Nishana, Lahinakillathu; Sakthivel, Ayyamperumal; Kurup, M. R. Prathapachandra; Damodaran, Krishna K.; Kulandaisamy, Antonysamy; Maheswaran, Sithambaresan
• Journal of publication: New Journal of Chemistry
• Year of publication: 2023
• Journal volume: 47
• Journal issue: 44
• Pages of publication: 20626 - 20641
• a: 7.0655 ± 0.0007 Å
• b: 25.257 ± 0.003 Å
• c: 9.6732 ± 0.001 Å
• α: 90°
• β: 99.089 ± 0.004°
• γ: 90°
• Cell volume: 1704.5 ± 0.3 ų
• Cell temperature: 302 ± 2 K
• Ambient diffraction temperature: 302 ± 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: 0.0394
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.0868
• Weighted residual factors for all reflections included in the refinement: 0.0903
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No