Information card for entry 4349649

Structure parameters

• Formula: C84 H48 Cl2 Co4 N0 O18
• Calculated formula: C84 H48 Cl2 Co4 O18
• Title of publication: Directed assembly of a high surface area 2D metal‒organic framework displaying the augmented “kagomé dual” (kgd-a) layered topology with high H2and CO2uptake
• Authors of publication: Spanopoulos, Ioannis; Tsangarakis, Constantinos; Barnett, Sarah; Nowell, Harriot; Klontzas, Emmanuel; Froudakis, George E.; Trikalitis, Pantelis N.
• Journal of publication: Inorganic Chemistry Frontiers
• Year of publication: 2017
• Journal volume: 4
• Journal issue: 5
• Pages of publication: 825
• a: 30.84 ± 0.03 Å
• b: 23.83 ± 0.02 Å
• c: 21.31 ± 0.02 Å
• α: 90°
• β: 101.531 ± 0.013°
• γ: 90°
• Cell volume: 15345 ± 2 ų
• Cell temperature: 250 ± 2 K
• Ambient diffraction temperature: 250 ± 2 K
• Number of distinct elements: 6
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.2673
• Residual factor for significantly intense reflections: 0.2395
• Weighted residual factors for significantly intense reflections: 0.5252
• Weighted residual factors for all reflections included in the refinement: 0.5349
• Goodness-of-fit parameter for all reflections included in the refinement: 2.984
• Diffraction radiation wavelength: 0.6889 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No