Information card for entry 7718046

Structure parameters

• Formula: C18 H18 Ca N6 O6
• Calculated formula: C18 H18 Ca N6 O6
• 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: 5.5041 ± 0.0007 Å
• b: 8.0865 ± 0.001 Å
• c: 11.607 ± 0.0015 Å
• α: 102.901 ± 0.006°
• β: 95.514 ± 0.006°
• γ: 104.903 ± 0.006°
• Cell volume: 480.13 ± 0.11 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0396
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.1066
• Weighted residual factors for all reflections included in the refinement: 0.108
• Goodness-of-fit parameter for all reflections included in the refinement: 1.168
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No