Information card for entry 1564491

Structure parameters

• Chemical name: H?MAC?I
• Formula: C347 H276 Co8 I13.6 N73 O3
• Calculated formula: C347 H276 Co8 I13.6 N73 O3
• Title of publication: Orthogonal binding and displacement of different guest types using a coordination cage host with cavity-based and surface-based binding sites
• Authors of publication: Ludden, Michael D.; Taylor, Christopher G. P.; Ward, Michael D.
• Journal of publication: Chemical Science
• Year of publication: 2021
• a: 32.9277 ± 0.0002 Å
• b: 30.073 ± 0.0002 Å
• c: 40.767 ± 0.0003 Å
• α: 90°
• β: 95.576 ± 0.001°
• γ: 90°
• Cell volume: 40177.9 ± 0.5 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• 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: 0.0885
• Residual factor for significantly intense reflections: 0.0644
• Weighted residual factors for significantly intense reflections: 0.2022
• Weighted residual factors for all reflections included in the refinement: 0.2289
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.6889 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No