Information card for entry 1564630

Structure parameters

• Formula: C49 H45 Cu3 N7 O8
• Calculated formula: C49 H45 Cu3 N7 O8
• SMILES: [Cu](OC(=O)c1ccc2[O]3[Cu]4([N](c2c1)=C(C=C(O4)C)C)([n]1ccccc1)[O]1[Cu]23(OC(=CC(=[N]2c2c1ccc(C(=O)[O-])c2)C)C)[n]1ccccc1)([n]1ccccc1)([n]1ccccc1)(OC(=O)c1ccc2[O]3[Cu]4(OC(=CC(=[N]4c2c1)C)C)([n]1ccccc1)[O]1[Cu]23([N](c3c1ccc(C(=O)O[Cu]([n]1ccccc1)([n]1ccccc1)[n]1ccccc1)c3)=C(C=C(O2)C)C)[n]1ccccc1)[n]1ccccc1
• Title of publication: Coordination properties of two new Schiff-base phenoxy-carboxylates and comparative study of their antioxidant activities
• Authors of publication: Boussadia, Ahlem; Beghidja, Adel; Gali, Lynda; Beghidja, Chahrazed; Elhabiri, Mourad; Rabu, Pierre; Rogez, Guillaume
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2020
• Journal volume: 508
• Pages of publication: 119656
• a: 18.7592 ± 0.0007 Å
• b: 9.7333 ± 0.0004 Å
• c: 16.0077 ± 0.0006 Å
• α: 90°
• β: 106.724 ± 0.002°
• γ: 90°
• Cell volume: 2799.2 ± 0.19 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.1037
• Residual factor for significantly intense reflections: 0.0784
• Weighted residual factors for significantly intense reflections: 0.2251
• Weighted residual factors for all reflections included in the refinement: 0.25
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No