Information card for entry 7220535

Structure parameters

• Formula: C4 H2 N2 O3 Zn
• Calculated formula: C4 H2 N2 O3 Zn
• Title of publication: A 2D metal-organic framework composed of bi-functional ligand with ultra-micropores for post-combustion CO2 capture
• Authors of publication: Xu, Guodong; Peng, Yongwu; Hu, Zhigang; Yuan, Daqiang; Donnadieu, Bruno; Zhao, Dan; Cheng, Hansong
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 8.8126 ± 0.0003 Å
• b: 10.6094 ± 0.0003 Å
• c: 10.5394 ± 0.0003 Å
• α: 90°
• β: 96.18 ± 0.003°
• γ: 90°
• Cell volume: 979.67 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0292
• Residual factor for significantly intense reflections: 0.0269
• Weighted residual factors for significantly intense reflections: 0.0787
• Weighted residual factors for all reflections included in the refinement: 0.08
• Goodness-of-fit parameter for all reflections included in the refinement: 1.157
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No