Information card for entry 7209123

Structure parameters

• Formula: C14 H16 N8 O3 Zn
• Calculated formula: C11 H9 N7 O2 Zn
• Title of publication: Enhancing CO2 adsorption enthalpy and selectivity via amino functionalization of a tetrahedral framework material
• Authors of publication: Yang, E.; Li, Hong-Yan; Wang, Fei; Yang, Hui; Zhang, Jian
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 4
• Pages of publication: 658
• a: 18.2266 ± 0.0006 Å
• b: 10.3496 ± 0.0004 Å
• c: 9.1663 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1729.11 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0509
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.0951
• Weighted residual factors for all reflections included in the refinement: 0.1002
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No