Information card for entry 2108988

Structure parameters

• Formula: C22 H32 Cu N4 O9
• Calculated formula: C22 H32 Cu N4 O9
• SMILES: [Cu]12(OC(=O)[C@@H]([NH]1Cc1ccc3OCOc3c1)C)(OC(=O)[C@@H]([NH]2Cc1cc2OCOc2cc1)C)([NH3])[NH3].O
• 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: 13.9687 ± 0.0007 Å
• b: 6.8845 ± 0.0003 Å
• c: 14.3443 ± 0.0007 Å
• α: 90°
• β: 109.401 ± 0.005°
• γ: 90°
• Cell volume: 1301.13 ± 0.11 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298.15 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0887
• Residual factor for significantly intense reflections: 0.0783
• Weighted residual factors for significantly intense reflections: 0.2122
• Weighted residual factors for all reflections included in the refinement: 0.2307
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No