Information card for entry 4122034

Structure parameters

• Formula: C24 H27 N O8 S2
• Calculated formula: C24 H27 N O8 S2
• Title of publication: Metal-organic frameworks with precisely designed interior for carbon dioxide capture in the presence of water.
• Authors of publication: Fracaroli, Alejandro M.; Furukawa, Hiroyasu; Suzuki, Mitsuharu; Dodd, Matthew; Okajima, Satoshi; Gándara, Felipe; Reimer, Jeffrey A.; Yaghi, Omar M.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 25
• Pages of publication: 8863 - 8866
• a: 7.9219 ± 0.0004 Å
• b: 10.4568 ± 0.0006 Å
• c: 16.3932 ± 0.0008 Å
• α: 100.853 ± 0.0015°
• β: 95.5763 ± 0.0018°
• γ: 110.996 ± 0.0016°
• Cell volume: 1224.9 ± 0.11 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150.15 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0521
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.1004
• Weighted residual factors for all reflections included in the refinement: 0.1091
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No