Information card for entry 2243286

Structure parameters

• Chemical name: <i>catena</i>-Poly[[[diaqualithium]-μ-γ-cyclodextrin(1-)-[aqualithium]-μ-γ-cyclodextrin(1-)] pentadecahydrate]
• Formula: C96 H194 Li2 O98
• Calculated formula: C96 H179 Li2 O98
• Title of publication: Crystal structure of a two-dimensional metal‒organic framework assembled from lithium(I) and γ-cyclodextrin
• Authors of publication: Krukle-Berzina, Kristine; Belyakov, Sergey; Mishnev, Anatoly; Shubin, Kirill
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2020
• Journal volume: 76
• Journal issue: 3
• Pages of publication: 349 - 353
• a: 15.00386 ± 0.00018 Å
• b: 17.0413 ± 0.0002 Å
• c: 17.64915 ± 0.00015 Å
• α: 117.041 ± 0.001°
• β: 96.8906 ± 0.0009°
• γ: 96.8281 ± 0.001°
• Cell volume: 3912.77 ± 0.09 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0477
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.1302
• Weighted residual factors for all reflections included in the refinement: 0.1327
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes