Information card for entry 7030074

Structure parameters

• Formula: C48 H45 N7 O13 Zn2
• Calculated formula: C48 H42 N7 O13 Zn2
• Title of publication: An unprecedented acylamide-functionalized 2D →3D microporous metal-organic polycatenation framework exhibiting highly selective CO2 capture.
• Authors of publication: Liu, Bo; Li, Dong-Sheng; Hou, Lei; Yang, Guo-Ping; Wang, Yao-Yu; Shi, Qi-Zhen
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 27
• Pages of publication: 9822 - 9825
• a: 10.405 ± 0.003 Å
• b: 24.813 ± 0.007 Å
• c: 19.681 ± 0.005 Å
• α: 90°
• β: 106.2 ± 0.013°
• γ: 90°
• Cell volume: 4879 ± 2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1158
• Residual factor for significantly intense reflections: 0.0559
• Weighted residual factors for significantly intense reflections: 0.1203
• Weighted residual factors for all reflections included in the refinement: 0.1501
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No