Information card for entry 4132641

Structure parameters

• Chemical name: MOF-1005
• Formula: C144 H72 O38.4 Zr7.2
• Calculated formula: C144 H72 O38.4 Zr7.2
• 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: 38.764 ± 0.003 Å
• b: 38.764 ± 0.003 Å
• c: 38.764 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 58249 ± 8 ų
• Cell temperature: 290 ± 2 K
• Ambient diffraction temperature: 290.15 K
• Number of distinct elements: 4
• Space group number: 221
• Hermann-Mauguin space group symbol: P m -3 m
• Hall space group symbol: -P 4 2 3
• Residual factor for all reflections: 0.1851
• Residual factor for significantly intense reflections: 0.156
• Weighted residual factors for significantly intense reflections: 0.4181
• Weighted residual factors for all reflections included in the refinement: 0.4636
• Goodness-of-fit parameter for all reflections included in the refinement: 2.234
• Diffraction radiation wavelength: 1.1271 Å
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No