Information card for entry 4125946

Structure parameters

• Common name: LIFM-79
• Formula: C98 H46 F24 N2 O32 Zr6
• Calculated formula: C98 H47 F24 N2 O32 Zr6
• Title of publication: Dynamic Spacer Installation for Multi-role MOFs: A New Direc-tion toward Multifunctional MOFs Achieving Ultrahigh Me-thane Storage Working Capacity.
• Authors of publication: Chen, Cheng-Xia; Wei, Zhang-Wen; Jiang, Ji-Jun; Zheng, Shao-Ping; Wang, Hai-Ping; Qiu, Qian-Feng; Cao, Chen-Chen; Fenske, Dieter; Su, Cheng-Yong
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• a: 23.0922 ± 0.0001 Å
• b: 23.0922 ± 0.0001 Å
• c: 18.8684 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10061.6 ± 0.12 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 131
• Hermann-Mauguin space group symbol: P 42/m m c
• Hall space group symbol: -P 4c 2
• Residual factor for all reflections: 0.0602
• Residual factor for significantly intense reflections: 0.0535
• Weighted residual factors for significantly intense reflections: 0.172
• Weighted residual factors for all reflections included in the refinement: 0.1772
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No