Information card for entry 7133778

Structure parameters

• Formula: C309 H377 Cu6 N35 O83
• Calculated formula: C204 H120 Cu6 O42
• Title of publication: Topological control in paddlewheel metal-organic cages <i>via</i> ligand length variation.
• Authors of publication: Tsoukatos, Steven; Maibam, Ashakiran; Babarao, Ravichandar; Bloch, Witold M.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 90
• Pages of publication: 13183 - 13186
• a: 41.178 ± 0.005 Å
• b: 41.178 ± 0.005 Å
• c: 41.178 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 69823 ± 15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 218
• Hermann-Mauguin space group symbol: P -4 3 n
• Hall space group symbol: P -4n 2 3
• Residual factor for all reflections: 0.0599
• Residual factor for significantly intense reflections: 0.0537
• Weighted residual factors for significantly intense reflections: 0.1563
• Weighted residual factors for all reflections included in the refinement: 0.1674
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No