Information card for entry 4131521

Structure parameters

• Formula: C48 H80 K1.23 Li0.77 O40
• Calculated formula: C48 H80 K1.233 Li0.767 O40
• Title of publication: Noninvasive Substitution of K⁺ Sites in Cyclodextrin Metal-Organic Frameworks by Li⁺ Ions.
• Authors of publication: Patel, Hasmukh A.; Islamoglu, Timur; Liu, Zhichang; Nalluri, Siva Krishna Mohan; Samanta, Avik; Anamimoghadam, Ommid; Malliakas, Christos D.; Farha, Omar K.; Stoddart, J. Fraser
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 32
• Pages of publication: 11020 - 11023
• a: 43.069 ± 0.003 Å
• b: 43.069 ± 0.003 Å
• c: 27.998 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 44977 ± 7 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 155
• Hermann-Mauguin space group symbol: R 3 2 :H
• Hall space group symbol: R 3 2"
• Residual factor for all reflections: 0.1147
• Residual factor for significantly intense reflections: 0.0998
• Weighted residual factors for significantly intense reflections: 0.2625
• Weighted residual factors for all reflections included in the refinement: 0.2791
• Goodness-of-fit parameter for all reflections included in the refinement: 0.974
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No