Information card for entry 4127188

Structure parameters

• Common name: Co2(m-dobdc)(EB)0.63(H2O)0.61
• Formula: C14.15 H10.91 Co2 O6.61
• Calculated formula: C13.0208 H8.276 Co2 O6.5954
• Title of publication: Separation of Xylene Isomers through Multiple Metal Site Interactions in Metal-Organic Frameworks.
• Authors of publication: Gonzalez, Miguel I.; Kapelewski, Matthew T.; Bloch, Eric D.; Milner, Phillip J.; Reed, Douglas A.; Hudson, Matthew R.; Mason, Jarad A.; Barin, Gokhan; Brown, Craig M.; Long, Jeffrey R.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• a: 25.8977 ± 0.0009 Å
• b: 25.8977 ± 0.0009 Å
• c: 6.7599 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3926.4 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 160
• Hermann-Mauguin space group symbol: R 3 m :H
• Hall space group symbol: R 3 -2"
• Residual factor for all reflections: 0.044
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.108
• Weighted residual factors for all reflections included in the refinement: 0.1099
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.8856 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No