Information card for entry 4348894

Structure parameters

• Formula: C92 H42 O43 Zn8
• Calculated formula: C92 H42 O43 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: 14.1192 ± 0.0017 Å
• b: 33.389 ± 0.004 Å
• c: 16.938 ± 0.002 Å
• α: 90°
• β: 111.664 ± 0.002°
• γ: 90°
• Cell volume: 7421 ± 1.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• 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: 0.1459
• Residual factor for significantly intense reflections: 0.0706
• Weighted residual factors for significantly intense reflections: 0.1757
• Weighted residual factors for all reflections included in the refinement: 0.1898
• Goodness-of-fit parameter for all reflections included in the refinement: 1.142
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No