Information card for entry 7131609

Structure parameters

• Formula: C28 H0.5 N6 O12 Zn2.5
• Calculated formula: C28 H14 N6 O12 Zn2.5
• Title of publication: Efficient C₂H₂-selective separation in a microporous Zn(II)-based metal-organic framework <i>via</i> the dual-ligand strategy.
• Authors of publication: Yang, Fan; Xue, Juan-Juan; Lei, Guang-Ping; Zhang, Wen-Yan; Yang, Guo-Ping; Wang, Yao-Yu
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• Journal volume: 59
• Journal issue: 42
• Pages of publication: 6403 - 6406
• a: 13.316 ± 0.003 Å
• b: 13.775 ± 0.003 Å
• c: 14.849 ± 0.003 Å
• α: 107.422 ± 0.004°
• β: 101.816 ± 0.004°
• γ: 95.038 ± 0.004°
• Cell volume: 2511.1 ± 0.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0931
• Residual factor for significantly intense reflections: 0.0587
• Weighted residual factors for significantly intense reflections: 0.154
• Weighted residual factors for all reflections included in the refinement: 0.171
• Goodness-of-fit parameter for all reflections included in the refinement: 0.975
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No