Information card for entry 1569180

Structure parameters

• Formula: C112 H67 N24 O32 Zn10
• Calculated formula: C111.5 H67 N24 O30 Zn10
• Title of publication: Pillar-layer Zn-triazolate-dicarboxylate frameworks with a customized pore structure for efficient ethylene purification from ethylene/ethane/acetylene ternary mixtures.
• Authors of publication: Liu, Jiaqi; Wang, Hao; Li, Jing
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 22
• Pages of publication: 5912 - 5917
• a: 18.046 ± 0.0017 Å
• b: 9.8055 ± 0.001 Å
• c: 24.994 ± 0.003 Å
• α: 90°
• β: 110.269 ± 0.004°
• γ: 90°
• Cell volume: 4148.8 ± 0.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 6
• Hermann-Mauguin space group symbol: P 1 m 1
• Hall space group symbol: P -2y
• Residual factor for all reflections: 0.0618
• Residual factor for significantly intense reflections: 0.0587
• Weighted residual factors for significantly intense reflections: 0.1826
• Weighted residual factors for all reflections included in the refinement: 0.1847
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No