Information card for entry 4514260

Structure parameters

• Formula: C42 H28 N6 O10 Zn2
• Calculated formula: C42 H28 N6 O10 Zn2
• Title of publication: Metal-Organic Frameworks with Internal Urea-Functionalized Dicarboxylate Linkers for SO2 and NH3 Adsorption.
• Authors of publication: Glomb, Sebastian; Woschko, Dennis; Makhloufi, Gamall; Janiak, Christoph
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2017
• Journal volume: 9
• Journal issue: 42
• Pages of publication: 37419 - 37434
• a: 15.173 ± 0.004 Å
• b: 15.232 ± 0.004 Å
• c: 16.006 ± 0.004 Å
• α: 77.869 ± 0.012°
• β: 80.918 ± 0.013°
• γ: 84.57 ± 0.011°
• Cell volume: 3564 ± 1.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.144
• Residual factor for significantly intense reflections: 0.1069
• Weighted residual factors for significantly intense reflections: 0.2956
• Weighted residual factors for all reflections included in the refinement: 0.3297
• Goodness-of-fit parameter for all reflections included in the refinement: 1.223
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No