Information card for entry 7227785

Structure parameters

• Common name: γ-cyclodextrin-metal-organic framework
• Chemical name: catena-((μ8-γ-Cyclodextrin)-di-potassium dihydroxide)
• Formula: C48 H82 K2 O42
• Calculated formula: C48 H80 K2 O42
• Title of publication: Pressure inverse solubility and polymorphism of an edible γ-cyclodextrin-based metal-organic framework.
• Authors of publication: Patyk-Kaźmierczak, Ewa; Warren, Mark R.; Allan, David R.; Katrusiak, Andrzej
• Journal of publication: Physical chemistry chemical physics : PCCP
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 13
• Pages of publication: 9086 - 9091
• a: 43.6764 ± 0.0014 Å
• b: 43.6764 ± 0.0014 Å
• c: 28.1864 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 46565 ± 3 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 4
• Space group number: 155
• Hermann-Mauguin space group symbol: R 3 2
• Hall space group symbol: R 3 2"
• Residual factor for all reflections: 0.1379
• Residual factor for significantly intense reflections: 0.1354
• Weighted residual factors for significantly intense reflections: 0.3715
• Weighted residual factors for all reflections included in the refinement: 0.3798
• Goodness-of-fit parameter for all reflections included in the refinement: 1.946
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.6889 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No