Information card for entry 1564585

Structure parameters

• Formula: C22 H29 Cu N3 O5
• Calculated formula: C22 H29 Cu N3 O5
• SMILES: c12ccccc1C=[N]1CC[NH]3CC[N](=Cc4ccccc4O)[Cu]13(O2)[OH]CC.CC(=O)[O-]
• Title of publication: Synthesis, crystal structures, catalytic application and antibacterial activities of Cu(II) and Zn(II) complexes bearing salicylaldehyde-imine ligands
• Authors of publication: Liu, Chao; Chen, Ming-Xing; Li, Ming
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2020
• Journal volume: 508
• Pages of publication: 119639
• a: 16.6146 ± 0.0016 Å
• b: 7.5227 ± 0.0007 Å
• c: 18.9472 ± 0.0017 Å
• α: 90°
• β: 101.911 ± 0.003°
• γ: 90°
• Cell volume: 2317.2 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0351
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.0813
• Weighted residual factors for all reflections included in the refinement: 0.0833
• 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