Information card for entry 7250759

Structure parameters

• Common name: UA-1
• Chemical name: di-Zinc-4,4'-(carbonylbis(azanediyl))dibenzoate;1,3-di(pyridin-4-yl)urea;diethylformamide;water
• Formula: C47.88 H69.12 N10.38 O13.75 Zn
• Calculated formula: C36 H43 N8 O9 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: 18.5503 ± 0.0003 Å
• b: 14.385 ± 0.0002 Å
• c: 22.7569 ± 0.0004 Å
• α: 90°
• β: 110.553 ± 0.002°
• γ: 90°
• Cell volume: 5686.06 ± 0.17 ų
• Cell temperature: 100.2 ± 0.6 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0749
• Residual factor for significantly intense reflections: 0.0711
• Weighted residual factors for significantly intense reflections: 0.2025
• Weighted residual factors for all reflections included in the refinement: 0.2058
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No