Information card for entry 4349648

Structure parameters

• Formula: C84 H44 Co2 O14
• Calculated formula: C84 H44 Co2 O14
• 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: 41.909 ± 0.013 Å
• b: 24.156 ± 0.007 Å
• c: 11.898 ± 0.004 Å
• α: 90°
• β: 95.829 ± 0.005°
• γ: 90°
• Cell volume: 11983 ± 6 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.182
• Residual factor for significantly intense reflections: 0.1634
• Weighted residual factors for significantly intense reflections: 0.4582
• Weighted residual factors for all reflections included in the refinement: 0.4674
• Goodness-of-fit parameter for all reflections included in the refinement: 3.086
• Diffraction radiation wavelength: 0.8638 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No