Information card for entry 1553683

Structure parameters

• Formula: C9 H4 N2 O4 Y0.33
• Calculated formula: C9 H4 N2 O4 Y0.333333
• Title of publication: A microporous yttrium metal‒organic framework of an unusual nia topology for high adsorption selectivity of C2H2and CO2over CH4at room temperature
• Authors of publication: Liu, Kang; Li, Xu; Ma, Dingxuan; Han, Yi; Li, Baiyan; Shi, Zhan; Li, Zhenjiang; Wang, Lei
• Journal of publication: Materials Chemistry Frontiers
• Year of publication: 2017
• Journal volume: 1
• Journal issue: 10
• Pages of publication: 1982
• a: 12.8501 ± 0.0018 Å
• b: 12.8501 ± 0.0018 Å
• c: 15.709 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2246.4 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 159
• Hermann-Mauguin space group symbol: P 3 1 c
• Hall space group symbol: P 3 -2c
• Residual factor for all reflections: 0.0345
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for significantly intense reflections: 0.089
• Weighted residual factors for all reflections included in the refinement: 0.0897
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No