Information card for entry 7120271

Structure parameters

• Formula: C48 H81 N O39 Rb2
• Calculated formula: C48 H81 N O39 Rb2
• Title of publication: Functionalised cyclodextrin-based metal-organic frameworks
• Authors of publication: Hartlieb, Karel J.; Peters, Aaron William; Wang, Timothy C.; Deria, Pravas; Farha, Omar; Hupp, J. T.; Stoddart, J. Fraser
• Journal of publication: Chem. Commun.
• Year of publication: 2017
• a: 31.0197 ± 0.0011 Å
• b: 31.0197 ± 0.0011 Å
• c: 31.0197 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 29847.8 ± 1.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 211
• Hermann-Mauguin space group symbol: I 4 3 2
• Hall space group symbol: I 4 2 3
• Residual factor for all reflections: 0.0637
• Residual factor for significantly intense reflections: 0.0586
• Weighted residual factors for significantly intense reflections: 0.1967
• Weighted residual factors for all reflections included in the refinement: 0.204
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No