Information card for entry 4128438

Structure parameters

• Formula: C62 H32 Cr3 O16
• Calculated formula: C62 H32 Cr3 O16
• Title of publication: Reticular Access to Highly Porous acs-MOFs with Rigid Trigonal Prismatic Linkers for Water Sorption.
• Authors of publication: Chen, Zhijie; Li, Penghao; Zhang, Xuan; Li, Peng; Wasson, Megan C.; Islamoglu, Timur; Stoddart, J. Fraser; Farha, Omar K.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 7
• Pages of publication: 2900 - 2905
• a: 19.503 ± 0.002 Å
• b: 19.503 ± 0.002 Å
• c: 11.1225 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3663.8 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 187
• Hermann-Mauguin space group symbol: P -6 m 2
• Hall space group symbol: P -6 2
• Residual factor for all reflections: 0.0628
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.1152
• Weighted residual factors for all reflections included in the refinement: 0.1246
• Goodness-of-fit parameter for all reflections included in the refinement: 0.939
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No