Information card for entry 1559256

Structure parameters

• Formula: C16 H16 Cl Cu2 N6 O2
• Calculated formula: C16 H16 Cl Cu2 N6 O2
• SMILES: [Cu](Cl)[N]1=C(C)O[Cu]234([n]5ccccc5C=[N]12)[n]1ccccc1C=[N]3[N](=C(C)O4)[Cu](Cl)[N]1=C(C)O[Cu]234([n]5ccccc5C=[N]12)[n]1ccccc1C=[N]3[N]=C(C)O4
• 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: 9.369 ± 0.0004 Å
• b: 8.7013 ± 0.0005 Å
• c: 12.1951 ± 0.0006 Å
• α: 90°
• β: 112.512 ± 0.003°
• γ: 90°
• Cell volume: 918.42 ± 0.08 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.0795
• Residual factor for significantly intense reflections: 0.0526
• Weighted residual factors for significantly intense reflections: 0.1344
• Weighted residual factors for all reflections included in the refinement: 0.1498
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No