Information card for entry 2108986

Structure parameters

• Formula: C22 H24 Cu N2 O8
• Calculated formula: C22 H24 Cu N2 O8
• SMILES: [NH]1([C@H](C(=O)O[Cu]21[NH]([C@@H](C(=O)O2)C)Cc1ccc2OCOc2c1)C)Cc1ccc2OCOc2c1
• 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: 11.279 ± 0.003 Å
• b: 5.5252 ± 0.0009 Å
• c: 17.45 ± 0.003 Å
• α: 90°
• β: 96.84 ± 0.02°
• γ: 90°
• Cell volume: 1079.7 ± 0.4 ų
• Cell temperature: 298.5 K
• Ambient diffraction temperature: 298.5 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1085
• Residual factor for significantly intense reflections: 0.0584
• Weighted residual factors for significantly intense reflections: 0.125
• Weighted residual factors for all reflections included in the refinement: 0.1515
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes