Information card for entry 4125328

Structure parameters

• Formula: C360 H96 B6 F84 O57 Zr13
• Calculated formula: C360 H96 B6 F84 O57 Zr13
• Title of publication: Highly Porous Zirconium Metal-Organic Frameworks with β-UH3-like Topology Based on Elongated Tetrahedral Linkers
• Authors of publication: Zhang, Xin; Zhang, Xu; Johnson, Jacob A.; Chen, Yu-Sheng; Zhang, Jian
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 27
• Pages of publication: 8380 - 8383
• a: 49.365 ± 0.003 Å
• b: 49.365 ± 0.003 Å
• c: 49.365 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 120298 ± 13 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 223
• Hermann-Mauguin space group symbol: P m -3 n
• Hall space group symbol: -P 4n 2 3
• Residual factor for all reflections: 0.1812
• Residual factor for significantly intense reflections: 0.1365
• Weighted residual factors for significantly intense reflections: 0.3015
• Weighted residual factors for all reflections included in the refinement: 0.3245
• Goodness-of-fit parameter for all reflections included in the refinement: 1.555
• Diffraction radiation wavelength: 0.41328 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No