Information card for entry 7250758

Structure parameters

• Common name: UA-2
• Chemical name: di-Zinc-4,4'-(carbonylbis(azanediyl))dibenzoate;1,3-di(pyridin-4-yl)urea
• Formula: C45.62 H63.17 N9.92 O9.92 Zn
• Calculated formula: C26 H20 N6 O6 Zn
• Title of publication: Unlocking porosity: structural tuning of urea-based MOFs via reaction parameter control
• Authors of publication: Esrafili, Leili; Cheung, Ocean; Adriaensens, Peter; Derveaux, Elien; Glasby, Lawson T.; Moghadam, Peyman Z.; Vande Velde, Christophe M. L.
• Journal of publication: RSC Advances
• Year of publication: 2025
• Journal volume: 15
• Journal issue: 34
• Pages of publication: 27531 - 27543
• a: 27.5833 ± 0.0003 Å
• b: 27.5833 ± 0.0003 Å
• c: 14.4559 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10998.6 ± 0.3 ų
• Cell temperature: 294 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 86
• Hermann-Mauguin space group symbol: P 42/n :2
• Hall space group symbol: -P 4bc
• Residual factor for all reflections: 0.0646
• Residual factor for significantly intense reflections: 0.0558
• Weighted residual factors for significantly intense reflections: 0.1942
• Weighted residual factors for all reflections included in the refinement: 0.204
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No