Information card for entry 4134962

Structure parameters

• Formula: C20 H28 Cu F6 N4 O6 S2 Si
• Calculated formula: C20 H28 Cu F6 N4 O6 S2 Si
• Title of publication: Optimizing Pore Space for Flexible-Robust Metal-Organic Framework to Boost Trace Acetylene Removal.
• Authors of publication: Wang, Jun; Zhang, Yan; Zhang, Peixin; Hu, Jianbo; Lin, Rui-Biao; Deng, Qiang; Zeng, Zheling; Xing, Huabin; Deng, Shuguang; Chen, Banglin
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• Journal volume: 142
• Journal issue: 21
• Pages of publication: 9744 - 9751
• a: 19.04 ± 0.004 Å
• b: 9.9063 ± 0.0018 Å
• c: 15.835 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2986.7 ± 1 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 8
• Space group number: 72
• Hermann-Mauguin space group symbol: I b a m
• Hall space group symbol: -I 2 2c
• Residual factor for all reflections: 0.0862
• Residual factor for significantly intense reflections: 0.0752
• Weighted residual factors for significantly intense reflections: 0.239
• Weighted residual factors for all reflections included in the refinement: 0.2579
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No