Information card for entry 7062376

Structure parameters

• Formula: C14 H12 Cu N6 O3
• Calculated formula: C14 H12 Cu N6 O3
• SMILES: [Cu]12(OC(=O)c3c(N2N=C(C(OC)=[NH]1)C#N)cccc3)[n]1cc[nH]c1
• 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: 8.3848 ± 0.0003 Å
• b: 8.9939 ± 0.0004 Å
• c: 11.1413 ± 0.0005 Å
• α: 102.733 ± 0.002°
• β: 90.338 ± 0.002°
• γ: 113.054 ± 0.002°
• Cell volume: 750.09 ± 0.06 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.022
• Residual factor for significantly intense reflections: 0.0207
• Weighted residual factors for significantly intense reflections: 0.0571
• Weighted residual factors for all reflections included in the refinement: 0.058
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No