Information card for entry 7120668

Structure parameters

• Common name: LIFM-94
• Formula: C104 H76 N12 O34 Zr6
• Calculated formula: C104 H76 N12 O34 Zr6
• Title of publication: Stepwise Engineering Pore Environment and Enhancing CO2/R22 Adsorption Capacity through Dynamic Spacer Installation and Functionality Modification
• Authors of publication: Chen, Cheng-Xia; Qiu, Qian-feng; Cao, Chen-Chen; Pan, Mei; Wang, Hai-Ping; Jiang, Ji-Jun; Wei, Zhang-Wen; Zhu, Kelong; Li, Guangqin; Su, Cheng-Yong
• Journal of publication: Chem. Commun.
• Year of publication: 2017
• a: 23.0742 ± 0.0004 Å
• b: 23.0742 ± 0.0004 Å
• c: 18.6187 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9912.9 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.1265
• Residual factor for significantly intense reflections: 0.0926
• Weighted residual factors for significantly intense reflections: 0.2422
• Weighted residual factors for all reflections included in the refinement: 0.2878
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No