Information card for entry 4348893

Structure parameters

• Formula: C130 H148 N14 O55 Zn8
• Calculated formula: C130 H144 N14 O55 Zn8
• Title of publication: Selective CO2 adsorption in a microporous metal‒organic framework with suitable pore sizes and open metal sites
• Authors of publication: Liu, Bo; Jiang, Ya-Hui; Li, Zhi-Sen; Hou, Lei; Wang, Yao-Yu
• Journal of publication: Inorganic Chemistry Frontiers
• Year of publication: 2015
• Journal volume: 2
• Journal issue: 6
• Pages of publication: 550
• a: 14.123 ± 0.004 Å
• b: 33.38 ± 0.009 Å
• c: 16.833 ± 0.003 Å
• α: 90°
• β: 111.943 ± 0.016°
• γ: 90°
• Cell volume: 7361 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.094
• Residual factor for significantly intense reflections: 0.0684
• Weighted residual factors for significantly intense reflections: 0.2208
• Weighted residual factors for all reflections included in the refinement: 0.2493
• Goodness-of-fit parameter for all reflections included in the refinement: 1.122
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No