Information card for entry 4003852

Structure parameters

• Common name: UiO-67
• Chemical name: Zr(IV) biphenyl dicarboxylate metal-organic framework
• Formula: C81.48 H46.56 O30.22 Zr6
• Calculated formula: C81.48 H46.56 O30.224 Zr6
• Title of publication: Interplay between Intrinsic Thermal Stability and Expansion Properties of Functionalized UiO-67 Metal‒Organic Frameworks
• Authors of publication: Goodenough, Isabella; Devulapalli, Venkata Swaroopa Datta; Xu, Wenqian; Boyanich, Mikaela C.; Luo, Tian-Yi; De Souza, Mattheus; Richard, Mélissandre; Rosi, Nathaniel L.; Borguet, Eric
• Journal of publication: Chemistry of Materials
• Year of publication: 2020
• a: 26.5695 ± 0.0003 Å
• b: 26.5695 ± 0.0003 Å
• c: 26.5695 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 18756.4 ± 0.4 ų
• Cell temperature: 580 K
• Ambient diffraction temperature: 580 K
• Ambient diffracton pressure: 101 kPa
• Sample thermal history: no activation, heated from room temperaure to 580 K directly
• 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 R(I) for significantly intense reflections: 0.0417
• Goodness-of-fit parameter for all reflections: 1.481
• Method of determination: powder diffraction
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.35364 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No