Information card for entry 2241626

Structure parameters

• Chemical name: Hexa-μ~2~-acetato-bis(2-{[(2,2,6,6-tetramethylpiperidin-4-yl)imino]methyl}phenolato-κ^3^<i>O</i>,<i>N</i>,<i>N</i>')tetracopper(II)
• Formula: C44 H64 Cu4 N4 O14
• Calculated formula: C44 H64 Cu4 N4 O14
• SMILES: O(C(=[O][Cu]1234[O]=C(O[Cu]4([O]=C(O[Cu]45[N](=Cc6c(O5)cccc6)C5CC([NH]4C(C5)(C)C)(C)C)C)([O]=C(O1)C)(OC(=[O]3)C)[O]=C(O2)C)C)C)[Cu]12Oc3ccccc3C=[N]1C1CC([NH]2C(C)(C1)C)(C)C
• Title of publication: Crystal structure of a tetranuclear Cu^II^ complex with an <i>O</i>,<i>N</i>,<i>N</i>'-donor Schiff base ligand: hexa-μ~2~-acetato-bis(2-{[(2,2,6,6-tetramethylpiperidin-4-yl)imino]methyl}phenolato-κ^3^<i>O</i>,<i>N</i>,<i>N</i>')tetracopper(II)
• Authors of publication: Huang, Guohui; Liu, Xiaoxuan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 4
• Pages of publication: 597 - 599
• a: 31.2431 ± 0.0006 Å
• b: 10.7872 ± 0.0002 Å
• c: 15.2556 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5141.53 ± 0.17 ų
• Cell temperature: 250 ± 2 K
• Ambient diffraction temperature: 250.15 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.058
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.0941
• Weighted residual factors for all reflections included in the refinement: 0.109
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes