Information card for entry 1570091

Structure parameters

• Formula: C160.03 H32.01 F96.02 N64.01 O72.01 Zn32
• Calculated formula: C160.032 H32.0064 F96.0192 N64.0128 O72.0128 Zn32
• Title of publication: Surface engineering on a microporous metal-organic framework to boost ethane/ethylene separation under humid conditions.
• Authors of publication: Xie, Xiao-Jing; Wang, Ying; Cao, Qi-Yun; Krishna, Rajamani; Zeng, Heng; Lu, Weigang; Li, Dan
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 42
• Pages of publication: 11890 - 11895
• a: 20.1868 ± 0.0004 Å
• b: 20.1868 ± 0.0004 Å
• c: 20.1868 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8226.3 ± 0.3 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 225
• Hermann-Mauguin space group symbol: F m -3 m
• Hall space group symbol: -F 4 2 3
• Residual factor for all reflections: 0.0651
• Residual factor for significantly intense reflections: 0.0642
• Weighted residual factors for significantly intense reflections: 0.1772
• Weighted residual factors for all reflections included in the refinement: 0.1786
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No