Information card for entry 7121491

Structure parameters

• Formula: C7 H4 N O3 Zn
• Calculated formula: C7 H4 N O3 Zn1.0005
• Title of publication: Efficient separation of C₂H₂ from C₂H₂/CO₂ mixtures in an acid-base resistant metal-organic framework.
• Authors of publication: Zhang, Ling; Jiang, Ke; Li, Libo; Xia, Yu-Pei; Hu, Tong-Liang; Yang, Yu; Cui, Yuanjing; Li, Bin; Chen, Banglin; Qian, Guodong
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 38
• Pages of publication: 4846 - 4849
• a: 12.8863 ± 0.0001 Å
• b: 12.8863 ± 0.0001 Å
• c: 13.2102 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2193.64 ± 0.06 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 91
• Hermann-Mauguin space group symbol: P 41 2 2
• Hall space group symbol: P 4w 2c
• Residual factor for all reflections: 0.0372
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0955
• Weighted residual factors for all reflections included in the refinement: 0.0968
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No