Information card for entry 4123445

Structure parameters

• Common name: MOF-177-J
• Formula: C54 H36 N6 O13 Zn4
• Calculated formula: C54 H36 N6 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: 37.149 ± 0.005 Å
• b: 37.149 ± 0.005 Å
• c: 30.032 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 35893 ± 11 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 5
• Space group number: 163
• Hermann-Mauguin space group symbol: P -3 1 c
• Hall space group symbol: -P 3 2c
• Residual factor for all reflections: 0.1023
• Residual factor for significantly intense reflections: 0.0812
• Weighted residual factors for significantly intense reflections: 0.2196
• Weighted residual factors for all reflections included in the refinement: 0.2367
• Goodness-of-fit parameter for all reflections included in the refinement: 0.899
• Diffraction radiation wavelength: 0.9 Å
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No