Information card for entry 1548035

Structure parameters

• Formula: C5.78 H7.56 N8 Zn
• Calculated formula: C5.78 H7.56 N8 Zn
• Title of publication: Efficient purification of ethene by an ethane-trapping metal-organic framework
• Authors of publication: Pei-Qin Liao; Wei-Xiong Zhang; Jie-Peng Zhang; Xiao-Ming Chen
• Journal of publication: Nature Communications
• Year of publication: 2015
• Journal volume: 6
• Pages of publication: 8697
• a: 9.6896 ± 0.0016 Å
• b: 9.6896 ± 0.0016 Å
• c: 20.153 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1638.6 ± 0.5 ų
• Cell temperature: 195 ± 2 K
• Ambient diffraction temperature: 195 ± 2 K
• Number of distinct elements: 4
• Space group number: 152
• Hermann-Mauguin space group symbol: P 31 2 1
• Hall space group symbol: P 31 2"
• Residual factor for all reflections: 0.0343
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.1023
• Weighted residual factors for all reflections included in the refinement: 0.1028
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No