Information card for entry 4001670

Structure parameters

• Formula: C26 H16 N5 O12 Zn3
• Calculated formula: C26 H12 N5 O12 Zn3
• Title of publication: High CO2and H2Uptake in an Anionic Porous Framework with Amino-Decorated Polyhedral Cages
• Authors of publication: Zhai, Quan-Guo; Lin, Qipu; Wu, Tao; Wang, Le; Zheng, Shou-Tian; Bu, Xianhui; Feng, Pingyun
• Journal of publication: Chemistry of Materials
• Year of publication: 2012
• Journal volume: 24
• Journal issue: 14
• Pages of publication: 2624
• a: 20.1749 ± 0.0002 Å
• b: 20.1749 ± 0.0002 Å
• c: 16.3257 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6644.99 ± 0.15 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 136
• Hermann-Mauguin space group symbol: P 42/m n m
• Hall space group symbol: -P 4n 2n
• Residual factor for all reflections: 0.0539
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.1441
• Weighted residual factors for all reflections included in the refinement: 0.1489
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No