Information card for entry 7250878

Structure parameters

• Formula: C18 H38 Ce2 O31
• Calculated formula: C18 H38 Ce2 O31
• 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: 10.88688 ± 0.00014 Å
• b: 10.93543 ± 0.00016 Å
• c: 15.2453 ± 0.0002 Å
• α: 83.732 ± 0.0012°
• β: 85.3678 ± 0.0011°
• γ: 84.0042 ± 0.0011°
• Cell volume: 1789.85 ± 0.04 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0237
• Residual factor for significantly intense reflections: 0.0216
• Weighted residual factors for significantly intense reflections: 0.0488
• Weighted residual factors for all reflections included in the refinement: 0.0495
• Goodness-of-fit parameter for all reflections included in the refinement: 1.146
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No