Information card for entry 7250760

Structure parameters

• Chemical name: di-Zinc-4,4'-(carbonylbis(azanediyl))dibenzoate;1,3-di(pyridin-4-yl)urea;hemioxide
• Formula: C13.71 H11.42 I1.42 N3 O3.25 Zn
• Calculated formula: C13.5 H10 N3 O3.25 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: 32.48 ± 0.003 Å
• b: 32.48 ± 0.003 Å
• c: 7.692 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 7027.5 ± 1 ų
• Cell temperature: 99.99 ± 0.1 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 6
• Space group number: 180
• Hermann-Mauguin space group symbol: P 62 2 2
• Hall space group symbol: P 62 2 (0 0 4)
• Residual factor for all reflections: 0.1291
• Residual factor for significantly intense reflections: 0.1125
• Weighted residual factors for significantly intense reflections: 0.2554
• Weighted residual factors for all reflections included in the refinement: 0.2747
• Goodness-of-fit parameter for all reflections included in the refinement: 1.281
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No