Information card for entry 7718055

Structure parameters

• Formula: C35 H28 Ca2 N4 O10
• Calculated formula: C35 H28 Ca2 N4 O10
• 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: 21.8274 ± 0.0009 Å
• b: 21.8274 ± 0.0009 Å
• c: 7.3392 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3496.7 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 122
• Hermann-Mauguin space group symbol: I -4 2 d
• Hall space group symbol: I -4 2bw
• Residual factor for all reflections: 0.0598
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.102
• Weighted residual factors for all reflections included in the refinement: 0.1112
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No