Information card for entry 7250764

Structure parameters

• Chemical name: di-Zinc-4,4'-(carbonylbis(azanediyl))dibenzoate;1,3-di(pyridin-4-yl)urea;hemioxide
• Formula: C61 H67 N21 O31 Zn4
• Calculated formula: C52 H40 N12 O13 Zn4
• 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: 32.347 ± 0.003 Å
• b: 32.347 ± 0.003 Å
• c: 7.5375 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 6830.1 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 5
• 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: 0.022
• Residual factor for significantly intense reflections: 0.0214
• Weighted residual factors for significantly intense reflections: 0.0586
• Weighted residual factors for all reflections included in the refinement: 0.0589
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No