Information card for entry 4129624

Structure parameters

• Formula: C312 H210 O32 Zr6
• Calculated formula: C309 H210 O32 Zr6
• Title of publication: Ultraporous, Water Stable, and Breathing Zirconium-Based Metal-Organic Frameworks with ftw Topology.
• Authors of publication: Deria, Pravas; Gómez-Gualdrón, Diego A; Bury, Wojciech; Schaef, Herbert T.; Wang, Timothy C.; Thallapally, Praveen K.; Sarjeant, Amy A.; Snurr, Randall Q.; Hupp, Joseph T.; Farha, Omar K.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 40
• Pages of publication: 13183 - 13190
• a: 30.1088 ± 0.0011 Å
• b: 30.1088 ± 0.0011 Å
• c: 30.1088 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 27294.8 ± 1.7 ų
• Cell temperature: 250 ± 2 K
• Ambient diffraction temperature: 250 ± 2 K
• Number of distinct elements: 4
• Space group number: 221
• Hermann-Mauguin space group symbol: P m -3 m
• Hall space group symbol: -P 4 2 3
• Residual factor for all reflections: 0.0756
• Residual factor for significantly intense reflections: 0.07
• Weighted residual factors for significantly intense reflections: 0.22
• Weighted residual factors for all reflections included in the refinement: 0.2291
• Goodness-of-fit parameter for all reflections included in the refinement: 1.155
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No