Information card for entry 7250879

Structure parameters

• Formula: C52.989 H46.307 Ce4 N4.33 O37.33
• Calculated formula: C52.99 H46.31 Ce4 N4.33 O37.33
• Title of publication: Solvent induced structural transformation of a cerium(iii) 2,5-furandicarboxylate metal–organic framework
• Authors of publication: Das, Satarupa; Tidey, Jeremiah P.; Liu, Jie; Pickering, Katie S.; Coe, James C.; Walker, Marc; Walton, Richard I.
• Journal of publication: CrystEngComm
• Year of publication: 2025
• Journal volume: 27
• Journal issue: 41
• Pages of publication: 6797 - 6804
• a: 14.8474 ± 0.0014 Å
• b: 26.6474 ± 0.0018 Å
• c: 17.9757 ± 0.0011 Å
• α: 90°
• β: 112.784 ± 0.01°
• γ: 90°
• Cell volume: 6557 ± 1 ų
• Cell temperature: 175 ± 5 K
• Ambient diffraction temperature: 175 ± 5 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.2814
• Residual factor for significantly intense reflections: 0.2279
• Weighted residual factors for significantly intense reflections: 0.4378
• Weighted residual factors for all reflections included in the refinement: 0.4688
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0456
• Diffraction radiation probe: electron
• Diffraction radiation wavelength: 0.0251 Å
• Diffraction radiation type: electron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No