Information card for entry 7056237

Structure parameters

• Formula: C26 H32 Br2 Cl4 Cu3 N4 O4
• Calculated formula: C26 H32 Br2 Cl4 Cu3 N4 O4
• SMILES: c12ccc(cc1C=[N]1CC[N]3(CCOCC3)[Cu]31([O]2[Cu]1([Cl]3)[O]2c3ccc(cc3C=[N]3CC[N]4(CCOCC4)[Cu]23(Cl)[Cl]1)Br)Cl)Br
• Title of publication: Mono-, tri- and polynuclear copper(II) complexes of Schiff-base ligands: Synthesis, characterization and catalytic activity towards alcohol oxidation
• Authors of publication: Bhattacharjee, Aradhita; Halder, Shibashis; Ghosh, Koushik; Rizzoli, Corrado; Roy, Partha
• Journal of publication: New J. Chem.
• Year of publication: 2017
• Journal volume: 41
• Journal issue: 13
• Pages of publication: 5696 - 5706
• a: 9.123 ± 0.0009 Å
• b: 16.1575 ± 0.0015 Å
• c: 21.934 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3233.2 ± 0.5 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0347
• Residual factor for significantly intense reflections: 0.0265
• Weighted residual factors for significantly intense reflections: 0.0658
• Weighted residual factors for all reflections included in the refinement: 0.0706
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No