Information card for entry 7710668

Structure parameters

• Formula: C389.79 H204 O327.91 Zr61.34
• Calculated formula: C389.784 H204 O327.886 Zr61.338
• Title of publication: A Microporous Zr6@Zr-MOF for the Separation of Xe and Kr
• Authors of publication: Guo, Fua-An; Zhou, Kang; Liu, Jiaqi; Li, Xingyu; Wang, Hao
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 29.9798 ± 0.0006 Å
• b: 29.9798 ± 0.0006 Å
• c: 29.9798 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 26945.5 ± 0.9 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 4
• Space group number: 221
• Hermann-Mauguin space group symbol: P m -3 m
• Hall space group symbol: -P 4 2 3
• Residual factor for all reflections: 0.0876
• Residual factor for significantly intense reflections: 0.0775
• Weighted residual factors for significantly intense reflections: 0.1957
• Weighted residual factors for all reflections included in the refinement: 0.2018
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No