Information card for entry 7062375

Structure parameters

• Formula: C21 H20 Cu N6 O5
• Calculated formula: C21 H20 Cu N6 O5
• SMILES: [Cu]12(OC(=O)c3c(N2N=C(C(OC)=[NH]1)C#N)cccc3)([OH2])[n]1ccc(cc1)c1ccncc1.O
• 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: 8.6551 ± 0.0013 Å
• b: 10.2932 ± 0.0018 Å
• c: 12.572 ± 0.002 Å
• α: 71.796 ± 0.006°
• β: 79.5 ± 0.006°
• γ: 82.626 ± 0.006°
• Cell volume: 1043.1 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0555
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.081
• Weighted residual factors for all reflections included in the refinement: 0.0871
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No