Information card for entry 7114564

Structure parameters

• Formula: C23 H18 N2 O5 Zn
• Calculated formula: C23 H18 N2 O5 Zn
• Title of publication: High CO2/N2 and CO2/CH4 selectivity in a chiral metal-organic framework with contracted pores and multiple functionalities
• Authors of publication: Xiaoxia Lv; Liangjun Li; Sifu Tang; Chao Wang; Xuebo Zhao
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 6886
• a: 6.215 ± 0.002 Å
• b: 20.656 ± 0.008 Å
• c: 25.022 ± 0.01 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3212 ± 2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1393
• Residual factor for significantly intense reflections: 0.0794
• Weighted residual factors for significantly intense reflections: 0.1804
• Weighted residual factors for all reflections included in the refinement: 0.2052
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No