Information card for entry 4134584

Structure parameters

• Common name: Mg-CUK-1L incl. AzB
• Formula: C50 H36 Mg3 N6 O10
• Calculated formula: C50 H36 Mg3 N6 O10
• Title of publication: Reversible Solid-State Isomerism of Azobenzene-Loaded Large-Pore Isoreticular Mg-CUK-1.
• Authors of publication: He, Junpeng; Aggarwal, Kanchan; Katyal, Naman; He, Shichao; Chiang, Edward; Dunning, Samuel G.; Reynolds, 3rd, Joseph E; Steiner, Alexander; Henkelman, Graeme; Que, Emily L.; Humphrey, Simon M.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• a: 10.937 ± 0.003 Å
• b: 14.947 ± 0.003 Å
• c: 15.041 ± 0.004 Å
• α: 71.41 ± 0.018°
• β: 86.86 ± 0.02°
• γ: 88.896 ± 0.016°
• Cell volume: 2327 ± 1 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1981
• Residual factor for significantly intense reflections: 0.1337
• Weighted residual factors for significantly intense reflections: 0.3114
• Weighted residual factors for all reflections included in the refinement: 0.3805
• Goodness-of-fit parameter for all reflections included in the refinement: 0.957
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No