Information card for entry 4131314

Structure parameters

• Formula: C108 H106 N3 O47 Y9
• Calculated formula: C108 H78 N3 O47 Y9
• Title of publication: A Fine-Tuned Metal-Organic Framework for Autonomous Indoor Moisture Control.
• Authors of publication: AbdulHalim, Rasha G.; Bhatt, Prashant M.; Belmabkhout, Youssef; Shkurenko, Aleksander; Adil, Karim; Barbour, Leonard J.; Eddaoudi, Mohamed
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 31
• Pages of publication: 10715 - 10722
• a: 22.0149 ± 0.0002 Å
• b: 22.0149 ± 0.0002 Å
• c: 24.6746 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 10356.5 ± 0.16 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 194
• Hermann-Mauguin space group symbol: P 63/m m c
• Hall space group symbol: -P 6c 2c
• Residual factor for all reflections: 0.0806
• Residual factor for significantly intense reflections: 0.0765
• Weighted residual factors for significantly intense reflections: 0.2505
• Weighted residual factors for all reflections included in the refinement: 0.2561
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No