Information card for entry 1574049

Structure parameters

• Formula: C31.5 H27.5 N1.5 O8.5 Pr
• Calculated formula: C31.5 H25.5 N1.5 O7.5 Pr
• Title of publication: Implementing magnetic properties on demand with a dynamic lanthanoid-organic framework.
• Authors of publication: Gómez-Muñoz, Iván; Hu, Ziqi; Vitórica-Yrezábal, Iñigo J; Coronado, Eugenio; Mínguez Espallargas, Guillermo
• Journal of publication: Chemical science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 6
• Pages of publication: 2879 - 2885
• a: 15.0438 ± 0.0003 Å
• b: 28.0476 ± 0.0006 Å
• c: 16.0831 ± 0.0004 Å
• α: 90°
• β: 97.259 ± 0.002°
• γ: 90°
• Cell volume: 6731.8 ± 0.3 ų
• Cell temperature: 119.9 ± 0.8 K
• Ambient diffraction temperature: 119.9 ± 0.8 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0755
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.1059
• Weighted residual factors for all reflections included in the refinement: 0.1209
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No