Information card for entry 4518783

Structure parameters

• Formula: C34 H28 N6 O9 Zn
• Calculated formula: C34 H28 N6 O9 Zn
• Title of publication: Combining <i>In Situ</i> Techniques (XRD, IR, and ¹³C NMR) and Gas Adsorption Measurements Reveals CO₂-Induced Structural Transitions and High CO₂/CH₄ Selectivity for a Flexible Metal-Organic Framework JUK-8.
• Authors of publication: Roztocki, Kornel; Rauche, Marcus; Bon, Volodymyr; Kaskel, Stefan; Brunner, Eike; Matoga, Dariusz
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2021
• Journal volume: 13
• Journal issue: 24
• Pages of publication: 28503 - 28513
• a: 13.8699 ± 0.0003 Å
• b: 17.5411 ± 0.0003 Å
• c: 27.7173 ± 0.0003 Å
• α: 90°
• β: 94.007 ± 0.001°
• γ: 90°
• Cell volume: 6726.9 ± 0.2 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 1 K
• Number of distinct elements: 5
• 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: 0.1066
• Residual factor for significantly intense reflections: 0.0594
• Weighted residual factors for significantly intense reflections: 0.1118
• Weighted residual factors for all reflections included in the refinement: 0.1278
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No