Information card for entry 4517556

Structure parameters

• Formula: C37.5 H42.5 N23.5 O13.5 Zn5
• Calculated formula: C32 H19 N21 O10 Zn5
• Title of publication: Highly Selective Separation of C3H8 and C2H2 over CH4 within Two Water-Stable Zn5 Cluster-Based Metal-Organic Frameworks.
• Authors of publication: Kan, Liang; Li, Guanghua; Liu, Yunling
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2020
• a: 14.406 ± 0.003 Å
• b: 15.241 ± 0.003 Å
• c: 16.333 ± 0.003 Å
• α: 97.6 ± 0.03°
• β: 95.92 ± 0.03°
• γ: 106.86 ± 0.03°
• Cell volume: 3363.8 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0639
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.1234
• Weighted residual factors for all reflections included in the refinement: 0.1301
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No