Information card for entry 4132633

Structure parameters

• Chemical name: UiO-66
• Formula: C42.7 H25.4 O32.04 Zr6
• Calculated formula: C42.72 H25.36 O29.36 Zr6
• Title of publication: Impact of Disordered Guest-Framework Interactions on the Crystallography of Metal-Organic Frameworks.
• Authors of publication: Lee, Seungkyu; Bürgi, Hans-Beat; Alshmimri, Sultan A.; Yaghi, Omar M.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 28
• Pages of publication: 8958 - 8964
• a: 20.7123 ± 0.0012 Å
• b: 20.7123 ± 0.0012 Å
• c: 20.7123 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8885.6 ± 0.9 ų
• Cell temperature: 100.15 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 4
• Space group number: 225
• Hermann-Mauguin space group symbol: F m -3 m
• Hall space group symbol: -F 4 2 3
• Residual factor for all reflections: 0.0223
• Residual factor for significantly intense reflections: 0.0214
• Weighted residual factors for significantly intense reflections: 0.0569
• Weighted residual factors for all reflections included in the refinement: 0.0578
• Goodness-of-fit parameter for all reflections included in the refinement: 1.196
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.7288 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No