Information card for entry 2108987

Structure parameters

• Formula: C34 H34 Cu N2 O9
• Calculated formula: C34 H34 Cu N2 O9
• SMILES: [Cu]12([OH2])(OC(=O)[C@@H]([NH]2Cc2cc3OCOc3cc2)Cc2ccccc2)OC(=O)[C@@H]([NH]1Cc1ccc2OCOc2c1)Cc1ccccc1
• Title of publication: Synthesis, structural and electrochemical properties of a new family of amino-acid-based coordination complexes
• Authors of publication: Rey, Juan Manuel; Movilla, Federico; Suárez, Sebastián Angel; Di Salvo, Florencia
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2022
• Journal volume: 78
• Journal issue: 3 Part 2
• a: 7.245 ± 0.0017 Å
• b: 7.251 ± 0.0012 Å
• c: 16.014 ± 0.003 Å
• α: 91.685 ± 0.011°
• β: 97.664 ± 0.007°
• γ: 112.798 ± 0.008°
• Cell volume: 765.6 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0613
• Residual factor for significantly intense reflections: 0.06
• Weighted residual factors for significantly intense reflections: 0.157
• Weighted residual factors for all reflections included in the refinement: 0.1589
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.79986 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes