Information card for entry 1564586

Structure parameters

• Formula: C44 H50 N6 O12 Zn3
• Calculated formula: C44 H50 N6 O12 Zn3
• SMILES: c1cccc(c1/C=N/CCN1CC[N]2=Cc3ccccc3[O]3[Zn]456([O]=C(C)O[Zn]123[O]4C(=O)C)[O]1c2c(C=[N]3CCN(CC/N=C/c4ccccc4O)[Zn]13([O]5C(=O)C)[O]=C(O6)C)cccc2)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: 24.454 ± 0.006 Å
• b: 24.454 ± 0.006 Å
• c: 16.024 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9582 ± 4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.0554
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for significantly intense reflections: 0.0729
• Weighted residual factors for all reflections included in the refinement: 0.0843
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No