Information card for entry 7062377

Structure parameters

• Formula: C16 H13 Cu N5 O3
• Calculated formula: C16 H13 Cu N5 O3
• SMILES: [Cu]12(N(N=C(C(=[NH]2)OC)C#N)c2ccccc2C(=O)O1)[n]1ccccc1
• Title of publication: Novel cyano-activated Cu(ii) complexes of arylhydrazones of active methylene nitriles and their catalytic application for azide–alkyne cycloaddition in water and glycerol
• Authors of publication: Gurbanov, Atash V.; Mahmoud, Abdallah G.; Aliyeva, Vusala A.; Guedes da Silva, M. Fátima C.; Pombeiro, Armando J. L.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2023
• Journal volume: 47
• Journal issue: 17
• Pages of publication: 7965 - 7974
• a: 7.5563 ± 0.0002 Å
• b: 19.9231 ± 0.0004 Å
• c: 19.9344 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3001.02 ± 0.12 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0309
• Residual factor for significantly intense reflections: 0.0249
• Weighted residual factors for significantly intense reflections: 0.0659
• Weighted residual factors for all reflections included in the refinement: 0.0695
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No