Information card for entry 2020542

Structure parameters

• Chemical name: Bis(μ-4-bromo-2-{[(3-oxidopropyl)imino]methyl}phenolato)dicopper(II)
• Formula: C20 H20 Br2 Cu2 N2 O4
• Calculated formula: C20 H20 Br2 Cu2 N2 O4
• SMILES: Brc1ccc2c(C=[N]3[Cu]4(O2)[O]([Cu]25[N](=Cc6cc(Br)ccc6O5)CCC[O]42)CCC3)c1
• Title of publication: X-ray characterization and magnetic properties of dioxygen-bridged Cu^II^ and Mn^III^ Schiff base complexes
• Authors of publication: Yahsi, Yasemin
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 7
• Pages of publication: 585 - 592
• a: 9.0043 ± 0.0002 Å
• b: 10.2212 ± 0.0002 Å
• c: 22.7814 ± 0.0005 Å
• α: 90°
• β: 92.085 ± 0.001°
• γ: 90°
• Cell volume: 2095.29 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0221
• Residual factor for significantly intense reflections: 0.0191
• Weighted residual factors for significantly intense reflections: 0.05
• Weighted residual factors for all reflections included in the refinement: 0.0515
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No