Information card for entry 7716372

Structure parameters

• Formula: C12 H13 Ce Cl N O5
• Calculated formula: C12 H13 Ce Cl N O5
• Title of publication: Cerium(III) and 5-methylisophthalate based MOFs with slow relaxation of the magnetization and photoluminescent emission
• Authors of publication: Pajuelo-Corral, Oier; Contreras, MCarmen; Rojas, Sara; Choquesillo-Lazarte, Duane; Seco, José Manuel; Rodríguez Diéguez, Antonio; Salinas-Castillo, Alfonso; Cepeda, Javier; Zabala-Lekuona, Andoni; Vitorica Yrezabal, Iñigo J.
• Journal of publication: Dalton Transactions
• Year of publication: 2024
• a: 18.2385 ± 0.0011 Å
• b: 9.7448 ± 0.0005 Å
• c: 7.8405 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1393.5 ± 0.13 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0198
• Residual factor for significantly intense reflections: 0.0161
• Weighted residual factors for significantly intense reflections: 0.0376
• Weighted residual factors for all reflections included in the refinement: 0.0395
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No