Information card for entry 4004010

Structure parameters

• Formula: C12 H10 Co N4 O4
• Calculated formula: C12 H10 Co N4 O4
• Title of publication: A Robust Hydrogen-Bonded Metal‒Organic Framework with Enhanced Ethane Uptake and Selectivity
• Authors of publication: Kang, Minjung; Kang, Dong Won; Choe, Jong Hyeak; Kim, Hyojin; Kim, Dae Won; Park, Hyein; Hong, Chang Seop
• Journal of publication: Chemistry of Materials
• Year of publication: 2021
• a: 12.2 ± 0.002 Å
• b: 6.783 ± 0.0014 Å
• c: 10.707 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 886 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 34
• Hermann-Mauguin space group symbol: P n n 2
• Hall space group symbol: P 2 -2n
• Residual factor for all reflections: 0.0625
• Residual factor for significantly intense reflections: 0.0568
• Weighted residual factors for significantly intense reflections: 0.1798
• Weighted residual factors for all reflections included in the refinement: 0.1895
• Goodness-of-fit parameter for all reflections included in the refinement: 0.729
• Diffraction radiation wavelength: 0.7 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No