Information card for entry 7718045

Structure parameters

• Formula: C13 H14 Ca N2 O5
• Calculated formula: C13 H14 Ca N2 O5
• Title of publication: A blessing and a curse: impact of urea derivatives on the secondary building unit of Ca-MOFs prepared in deep eutectic solvents.
• Authors of publication: Teixeira, Michaël; Louis, Benoît; Baudron, Stéphane A
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 12
• Pages of publication: 5006 - 5016
• a: 14.8758 ± 0.0003 Å
• b: 13.233 ± 0.0002 Å
• c: 7.0773 ± 0.0001 Å
• α: 90°
• β: 95.263 ± 0.002°
• γ: 90°
• Cell volume: 1387.3 ± 0.04 ų
• Cell temperature: 100.15 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0438
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.1179
• Weighted residual factors for all reflections included in the refinement: 0.1202
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.67199 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No