Information card for entry 4518595

Structure parameters

• Formula: C22 O5.333 Zr
• Calculated formula: C22 O5.33333 Zr
• Title of publication: Steric and Electronic Effects on the Interaction of Xe and Kr with Functionalized Zirconia Metal‒Organic Frameworks
• Authors of publication: Fairchild, David C.; Hossain, Mohammad I.; Cordova, Jesus; Glover, T. Grant; Uribe-Romo, Fernando J.
• Journal of publication: ACS Materials Letters
• Year of publication: 2021
• Pages of publication: 504 - 510
• a: 33.946 ± 0.016 Å
• b: 33.946 ± 0.016 Å
• c: 33.946 ± 0.016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 39117 ± 3 ų
• Ambient diffraction temperature: 300 K
• Ambient diffracton pressure: 100 kPa
• 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
• Weighted residual factors for significantly intense reflections: 0.03764
• RFsqd: 0.05302
• Goodness-of-fit parameter for all reflections: 2.001
• Method of determination: powder diffraction
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.5405 Å
• Diffraction radiation type: Kα~1,2~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No