Information card for entry 4123446

Structure parameters

• Formula: C54 H18 F12 O13 Zn4
• Calculated formula: C54 H18 F12 O13 Zn4
• Title of publication: Introduction of functionality, selection of topology, and enhancement of gas adsorption in multivariate metal-organic framework-177.
• Authors of publication: Zhang, Yue-Biao; Furukawa, Hiroyasu; Ko, Nakeun; Nie, Weixuan; Park, Hye Jeong; Okajima, Satoshi; Cordova, Kyle E.; Deng, Hexiang; Kim, Jaheon; Yaghi, Omar M.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 7
• Pages of publication: 2641 - 2650
• a: 25.9639 ± 0.0007 Å
• b: 25.9639 ± 0.0007 Å
• c: 25.9639 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 17502.9 ± 0.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 206
• Hermann-Mauguin space group symbol: I a -3
• Hall space group symbol: -I 2b 2c 3
• Residual factor for all reflections: 0.1097
• Residual factor for significantly intense reflections: 0.0978
• Weighted residual factors for significantly intense reflections: 0.3111
• Weighted residual factors for all reflections included in the refinement: 0.3259
• Goodness-of-fit parameter for all reflections included in the refinement: 1.36
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No