Information card for entry 4131313

Structure parameters

• Formula: C104 H103 N O52.5 Y9
• Calculated formula: C104 H54 N0.9996 O49.202 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: 21.996 ± 0.002 Å
• b: 21.996 ± 0.002 Å
• c: 24.912 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 10438.2 ± 1.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.125
• Residual factor for significantly intense reflections: 0.0839
• Weighted residual factors for significantly intense reflections: 0.2453
• Weighted residual factors for all reflections included in the refinement: 0.2731
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No