Information card for entry 7133777

Structure parameters

• Formula: C456 H645 N46 O100.5 Rh8
• Calculated formula: C296 H276 N6 O56 Rh8
• 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: 59.811 ± 0.012 Å
• b: 20.955 ± 0.004 Å
• c: 50.565 ± 0.01 Å
• α: 90°
• β: 121.04 ± 0.03°
• γ: 90°
• Cell volume: 54300 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0775
• Residual factor for significantly intense reflections: 0.068
• Weighted residual factors for significantly intense reflections: 0.2267
• Weighted residual factors for all reflections included in the refinement: 0.2385
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No