Information card for entry 2244044

Structure parameters

• Chemical name: (μ~3~-Acetato)(μ~2~-acetato)bis(μ~3~-1,3-bis{[1-(2-oxidophenyl)ethylidene]amino}propan-2-olato)tetracopper(II) monohydrate
• Formula: C21 H23 Cu2 N2 O5.5
• Calculated formula: C21 H23 Cu2 N2 O5.5
• SMILES: [Cu]123[N](=C(c4c(O2)cccc4)C)CC2[O]1[Cu]1(Oc4c(C(=[N]1C2)C)cccc4)[O]=C(O3)C.O
• Title of publication: Tetranuclear copper(II) complex of 2-hydroxy-<i>N</i>,<i>N</i>'-bis[1-(2-hydroxyphenyl)ethylidene]propane-1,3-diamine
• Authors of publication: Diallo, Alassane Saïdou; Thiam, Ibrahima Elhadji; Gueye-Ndiaye, Mbossé; Dieng, Moussa; Orton, James; Simon, Coles; Gaye, Mohamed
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2022
• Journal volume: 78
• Journal issue: 4
• a: 6.9688 ± 0.0001 Å
• b: 25.8066 ± 0.0004 Å
• c: 22.829 ± 0.0004 Å
• α: 90°
• β: 95.418 ± 0.002°
• γ: 90°
• Cell volume: 4087.25 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0675
• Residual factor for significantly intense reflections: 0.0561
• Weighted residual factors for significantly intense reflections: 0.1265
• Weighted residual factors for all reflections included in the refinement: 0.1305
• Goodness-of-fit parameter for all reflections included in the refinement: 1.133
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes