Information card for entry 4512073

Structure parameters

• Common name: UiO-67
• Chemical name: Zr(IV) biphenyl dicarboxylate metal-organic framework
• Formula: C84 H48 O32 Zr6
• Calculated formula: C84 H48 O32 Zr6
• Title of publication: Detailed Structure Analysis of Atomic Positions and Defects in Zirconium Metal‒Organic Frameworks
• Authors of publication: Øien, Sigurd; Wragg, David; Reinsch, Helge; Svelle, Stian; Bordiga, Silvia; Lamberti, Carlo; Lillerud, Karl Petter
• Journal of publication: Crystal Growth & Design
• Year of publication: 2014
• Journal volume: 14
• Journal issue: 11
• Pages of publication: 5370
• a: 26.8809 ± 0.0003 Å
• b: 26.8809 ± 0.0003 Å
• c: 26.8809 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 19423.7 ± 0.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0232
• Residual factor for significantly intense reflections: 0.0206
• Weighted residual factors for significantly intense reflections: 0.0546
• Weighted residual factors for all reflections included in the refinement: 0.0553
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.76 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No