Information card for entry 4003850

Structure parameters

• Common name: UiO-67-NH2
• Chemical name: Zr(IV) 2-Amino-4,4'-biphenyldicarboxylate metal-organic framework
• Formula: C78.12 H43.06 N5.58 O40 Zr6
• Calculated formula: C78.12 H43.06 N5.58 O40 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: 26.7196 ± 0.0005 Å
• b: 26.7196 ± 0.0005 Å
• c: 26.7196 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 19076.1 ± 0.6 ų
• Cell temperature: 480 K
• Ambient diffraction temperature: 480 K
• Ambient diffracton pressure: 101 kPa
• Sample thermal history: activated at 473 K for 10 min, and cooled to 90 K, then stepwisely heated to 480 K
• Number of distinct elements: 5
• 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: 0.057
• Goodness-of-fit parameter for all reflections: 9.608
• 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