Information card for entry 7126772

Structure parameters

• Formula: C43 H62 B2 Cl2 Cu F8 N4 O4
• Calculated formula: C43 H62 B2 Cl2 Cu F8 N4 O4
• SMILES: [C@@H]1(COC2C(C3=[N]([C@H](CO3)C(C)C)[Cu]3([N]1=2)[N]1[C@H](COC=1C(C1=[N]3[C@H](CO1)C(C)C)(Cc1ccccc1)C)C(C)C)(Cc1ccccc1)C)C(C)C.C(Cl)Cl.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].[C@H]1(COC2C(C3=[N]([C@@H](CO3)C(C)C)[Cu]3([N]1=2)[N]1[C@@H](COC=1C(C1=[N]3[C@@H](CO1)C(C)C)(Cc1ccccc1)C)C(C)C)(Cc1ccccc1)C)C(C)C.C(Cl)Cl.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-]
• Title of publication: Chiral stimuli-responsive metallo-supramolecular assembly induced by Cu^II/Cu^I redox change.
• Authors of publication: Marinova, Maya; Bonnefont, Antoine; Achard, Thierry; Maisse-François, Aline; Bellemin-Laponnaz, Stéphane
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 61
• Pages of publication: 8703 - 8706
• a: 11.9804 ± 0.0002 Å
• b: 14.2208 ± 0.0003 Å
• c: 14.3883 ± 0.0003 Å
• α: 82.847 ± 0.001°
• β: 81.601 ± 0.001°
• γ: 83.038 ± 0.001°
• Cell volume: 2392.89 ± 0.08 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0789
• Residual factor for significantly intense reflections: 0.0576
• Weighted residual factors for significantly intense reflections: 0.1511
• Weighted residual factors for all reflections included in the refinement: 0.1689
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No