Information card for entry 1559274

Structure parameters

• Common name: UiO-67-Me~2~
• Formula: C96 O40 Zr6
• Calculated formula: C96 O40 Zr6
• Title of publication: Twinning in Zr-Based Metal-Organic Framework Crystals
• Authors of publication: Øien-Ødegaard, Sigurd; Lillerud, Karl
• Journal of publication: Chemistry
• Year of publication: 2020
• Journal volume: 2
• Journal issue: 3
• Pages of publication: 777 - 786
• a: 26.8903 ± 0.0012 Å
• b: 26.8903 ± 0.0012 Å
• c: 26.8903 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 19444.1 ± 1.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 99.99 K
• Number of distinct elements: 3
• 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: 0.0531
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.1686
• Weighted residual factors for all reflections included in the refinement: 0.1743
• Goodness-of-fit parameter for all reflections included in the refinement: 1.127
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No