Information card for entry 1559255

Structure parameters

• Formula: C16 H17 Cu N7 O5
• Calculated formula: C16 H17 Cu N7 O5
• SMILES: c12cccc[n]2[Cu]23([N](=C1)N=C(C)O3)[n]1c(cccc1)C=[N]2NC(=O)C.N(=O)(=O)[O-]
• Title of publication: Phase transfer of metal cations by induced dynamic carrier agents: biphasic extraction based on dynamic covalent chemistry
• Authors of publication: Chevalier, Aline; Osypenko, Artem; Lehn, Jean-Marie; Meyer, Daniel
• Journal of publication: Chemical Science
• Year of publication: 2020
• a: 8.415 ± 0.0003 Å
• b: 13.2916 ± 0.0005 Å
• c: 16.6694 ± 0.0005 Å
• α: 90°
• β: 100.322 ± 0.001°
• γ: 90°
• Cell volume: 1834.28 ± 0.11 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 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: 0.0413
• Residual factor for significantly intense reflections: 0.0294
• Weighted residual factors for significantly intense reflections: 0.0665
• Weighted residual factors for all reflections included in the refinement: 0.0725
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No