Information card for entry 4519215

Structure parameters

• Formula: C24 H20.5 N2 O9.25 S2
• Calculated formula: C24 H20 N2 O9.25 S2
• Title of publication: Temperature-Dependent Nitrous Oxide/Carbon Dioxide Preferential Adsorption in a Thiazolium-Functionalized NU-1000 Metal-Organic Framework.
• Authors of publication: Mercuri, Giorgio; Moroni, Marco; Galli, Simona; Tuci, Giulia; Giambastiani, Giuliano; Yan, Tongan; Liu, Dahuan; Rossin, Andrea
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2021
• Journal volume: 13
• Journal issue: 49
• Pages of publication: 58982 - 58993
• a: 28.383 ± 0.005 Å
• b: 7.78 ± 0.005 Å
• c: 10.692 ± 0.005 Å
• α: 90 ± 0.005°
• β: 91.439 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 2360.3 ± 1.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1089
• Residual factor for significantly intense reflections: 0.0612
• Weighted residual factors for significantly intense reflections: 0.132
• Weighted residual factors for all reflections included in the refinement: 0.1706
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No