Information card for entry 4134429

Structure parameters

• Formula: C66 H54 Cl8 Cu2 N8 O12
• Calculated formula: C66 H54 Cl8 Cu2 N8 O12
• Title of publication: Simultaneous Generation of a [2 ×2] Grid-Like Complex and a Linear Double Helicate: a Three-Level Self-Sorting Process.
• Authors of publication: Ayme, Jean-François; Lehn, Jean-Marie; Bailly, Corinne; Karmazin, Lydia
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• Journal volume: 142
• Journal issue: 12
• Pages of publication: 5819 - 5824
• a: 21.0032 ± 0.0007 Å
• b: 16.044 ± 0.0005 Å
• c: 21.1775 ± 0.0007 Å
• α: 90°
• β: 111.551 ± 0.001°
• γ: 90°
• Cell volume: 6637.4 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.0801
• Residual factor for significantly intense reflections: 0.0586
• Weighted residual factors for significantly intense reflections: 0.1474
• Weighted residual factors for all reflections included in the refinement: 0.1639
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No