Information card for entry 4130054

Structure parameters

• Formula: C24 H16 Ga Mg2 N3 O16
• Calculated formula: C24 H9 Ga0.99 Mg2.01 N3 O16
• Title of publication: Systematic and Dramatic Tuning on Gas Sorption Performance in Heterometallic Metal-Organic Frameworks.
• Authors of publication: Zhai, Quan-Guo; Bu, Xianhui; Mao, Chengyu; Zhao, Xiang; Feng, Pingyun
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 8
• Pages of publication: 2524 - 2527
• a: 22.0354 ± 0.0003 Å
• b: 22.0354 ± 0.0003 Å
• c: 22.0354 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10699.5 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 218
• Hermann-Mauguin space group symbol: P -4 3 n
• Hall space group symbol: P -4n 2 3
• Residual factor for all reflections: 0.0703
• Residual factor for significantly intense reflections: 0.0512
• Weighted residual factors for significantly intense reflections: 0.1161
• Weighted residual factors for all reflections included in the refinement: 0.1228
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No