Information card for entry 2108889

Structure parameters

• Formula: C62 H70 Cu4 N14 O32
• Calculated formula: C62 H70 Cu4 N14 O32
• SMILES: c12c(cc(cc1)N(=O)=O)C=[N]1OCCO[N]3=Cc4c5c(cc(c4)C)C=[N]4OCCO[N]6=Cc7c(ccc(c7)N(=O)=O)O[Cu]46([O]5[Cu]413[O]2[Cu]123[O]4c4c(cc(cc4)N(=O)=O)C=[N]1OCCO[N]2=Cc1c2c(cc(c1)C)C=[N]1OCCO[N]4=Cc5c(ccc(c5)N(=O)=O)O[Cu]14([O]32)[OH]CC)[OH]CC.N(=O)(=O)[O-].CCO.N(=O)(=O)[O-].CCO
• Title of publication: Self-assembling of three rare structurally various homomultinuclear Cu^II^ complexes derived from a bis(salamo)-based multioxime ligand
• Authors of publication: Li, Peng; Zhang, Ting; Li, Li-Li; Dong, Wen-Kui
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2021
• Journal volume: 77
• Journal issue: 5
• a: 15.1553 ± 0.0006 Å
• b: 15.2135 ± 0.0006 Å
• c: 15.1959 ± 0.0006 Å
• α: 90°
• β: 94.292 ± 0.001°
• γ: 90°
• Cell volume: 3493.8 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0899
• Residual factor for significantly intense reflections: 0.0519
• Weighted residual factors for significantly intense reflections: 0.0918
• Weighted residual factors for all reflections included in the refinement: 0.1013
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes