Information card for entry 7123330

Structure parameters

• Formula: C24 H12 O16 Zr3
• Calculated formula: C24 H12 O16 Zr3
• Title of publication: [Zr6O4(OH)4(benzene-1,4-dicarboxylato)6]n: a hexagonal polymorph of UiO-66
• Authors of publication: Perfecto-Irigaray, Maite; Beobide, Garikoitz; Castillo, Oscar; da Silva, Ivan; García-Lojo, Daniel; Luque, Antonio; Mendia, Ander; Perez-Yañez, Sonia
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 14.669 ± 0.0004 Å
• b: 14.669 ± 0.0004 Å
• c: 26.8478 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 5003.1 ± 0.4 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• Space group number: 194
• Hermann-Mauguin space group symbol: P 63/m m c
• Hall space group symbol: -P 6c 2c
• Residual factor for all reflections: 3.41066
• Goodness-of-fit parameter for all reflections: 4.17391
• Method of determination: powder diffraction
• Diffraction radiation wavelength: 0.82448 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No