Information card for entry 4514258

Structure parameters

• Formula: C102 H123 N17 O29 Zn4
• Calculated formula: C102 H123 N17 O29 Zn4
• 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: 15.1669 ± 0.0013 Å
• b: 15.1542 ± 0.0013 Å
• c: 32.47 ± 0.003 Å
• α: 90°
• β: 99.162 ± 0.004°
• γ: 90°
• Cell volume: 7367.8 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0858
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for significantly intense reflections: 0.1264
• Weighted residual factors for all reflections included in the refinement: 0.1365
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No