Information card for entry 4121578

Structure parameters

• Formula: C216 H60 Al8 O56
• Calculated formula: C216 H60 Al8 O56
• Title of publication: High methane storage capacity in aluminum metal-organic frameworks.
• Authors of publication: Gándara, Felipe; Furukawa, Hiroyasu; Lee, Seungkyu; Yaghi, Omar M.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 14
• Pages of publication: 5271 - 5274
• a: 19.28 ± 0.001 Å
• b: 19.28 ± 0.001 Å
• c: 36.03 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 13393 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 94
• Hermann-Mauguin space group symbol: P 42 21 2
• Hall space group symbol: P 4n 2n
• Residual factor for all reflections: 0.1222
• Residual factor for significantly intense reflections: 0.1112
• Weighted residual factors for significantly intense reflections: 0.2792
• Weighted residual factors for all reflections included in the refinement: 0.2892
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.8903 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No