Information card for entry 4126610

Structure parameters

• Formula: C11.78 H9.57 Co2 O6
• Calculated formula: C11.784 H9.568 Co2 O6
• Title of publication: M2(m-dobdc) (M = Mn, Fe, Co, Ni) Metal-Organic Frameworks as Highly-Selective, High-Capacity Adsorbents for Olefin/Paraffin Separations.
• Authors of publication: Bachman, Jonathan E.; Kapelewski, Matthew T.; Reed, Douglas A.; Gonzalez, Miguel I.; Long, Jeffrey R.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• a: 25.72 ± 0.007 Å
• b: 25.72 ± 0.007 Å
• c: 6.853 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3926 ± 1.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0827
• Residual factor for significantly intense reflections: 0.0613
• Weighted residual factors for significantly intense reflections: 0.1113
• Weighted residual factors for all reflections included in the refinement: 0.1204
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.6888 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No