Information card for entry 7118425

Structure parameters

• Formula: C24 O25 Zn4
• Calculated formula: C24 O25 Zn4
• Title of publication: Enhanced performance in gas adsorption and Li ion batteries by docking Li(+) in a crown ether-based metal-organic framework.
• Authors of publication: Bai, Linyi; Tu, Binbin; Qi, Yi; Gao, Qiang; Liu, Dong; Liu, Zhizhou; Zhao, Lingzhi; Li, Qiaowei; Zhao, Yanli
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 14
• Pages of publication: 3003 - 3006
• a: 18.2657 ± 0.0008 Å
• b: 18.2657 ± 0.0008 Å
• c: 22.3708 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 6463.8 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 166
• Hermann-Mauguin space group symbol: R -3 m :H
• Hall space group symbol: -R 3 2"
• Residual factor for all reflections: 0.147
• Residual factor for significantly intense reflections: 0.0802
• Weighted residual factors for significantly intense reflections: 0.1782
• Weighted residual factors for all reflections included in the refinement: 0.1969
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No