Information card for entry 7718050

Structure parameters

• Formula: C13 H8 Ca F6 N2 O5
• Calculated formula: C13 H8 Ca F6 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: 17.0794 ± 0.0014 Å
• b: 14.0942 ± 0.0013 Å
• c: 14.5031 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3491.2 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 34
• Hermann-Mauguin space group symbol: P n n 2
• Hall space group symbol: P 2 -2n
• Residual factor for all reflections: 0.1485
• Residual factor for significantly intense reflections: 0.0588
• Weighted residual factors for significantly intense reflections: 0.0937
• Weighted residual factors for all reflections included in the refinement: 0.1199
• Goodness-of-fit parameter for all reflections included in the refinement: 0.96
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No