Information card for entry 7133776

Structure parameters

• Formula: C195 H223 Cu8 N17 O69
• Calculated formula: C165 H145 Cu8 N7 O55
• Title of publication: Topological control in paddlewheel metal-organic cages via ligand length variation
• Authors of publication: Tsoukatos, Steven; Maibam, Ashakiran; Babarao, Ravichandar; Bloch, Witold
• Journal of publication: Chemical Communications
• Year of publication: 2024
• a: 19.34 ± 0.004 Å
• b: 29.811 ± 0.006 Å
• c: 19.575 ± 0.004 Å
• α: 90°
• β: 113.53 ± 0.03°
• γ: 90°
• Cell volume: 10347 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0956
• Residual factor for significantly intense reflections: 0.0871
• Weighted residual factors for significantly intense reflections: 0.2733
• Weighted residual factors for all reflections included in the refinement: 0.2854
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No