Information card for entry 4125945

Structure parameters

• Common name: LIFM-77
• Formula: C98 H47 F24 N3 O32 Zr6
• Calculated formula: C98 H47 F24 N3 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: 23.0716 ± 0.0002 Å
• b: 23.0716 ± 0.0002 Å
• c: 18.8222 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10019 ± 0.2 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: 0.072
• Residual factor for significantly intense reflections: 0.0619
• Weighted residual factors for significantly intense reflections: 0.1985
• Weighted residual factors for all reflections included in the refinement: 0.2141
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No