Information card for entry 7133233

Structure parameters

• Formula: C6 H20 Ho2 O22
• Calculated formula: C6 H12 Ho2 O22
• Title of publication: Magnetocaloric efficiency tuning through solvent-triggered 3D to 2D interconversion in holmium(III)-based dynamic MOFs
• Authors of publication: El Alouani Dahmouni, Nadia; Orts-Arroyo, Marta; Sanchis-Perucho, Adrián; Moliner, Fernando Nicolás; Mayans, Júlia; Pacheco, Mario; Castro, Isabel; De Munno, Giovanni; Marino, Nadia; Ruiz-Garcia, Rafael; Martínez-Lillo, José
• Journal of publication: Chemical Communications
• Year of publication: 2024
• a: 10.9347 ± 0.0003 Å
• b: 9.604 ± 0.0003 Å
• c: 9.9542 ± 0.0003 Å
• α: 90°
• β: 114.143 ± 0.001°
• γ: 90°
• Cell volume: 953.92 ± 0.05 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• 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: 0.0166
• Residual factor for significantly intense reflections: 0.0146
• Weighted residual factors for significantly intense reflections: 0.0364
• Weighted residual factors for all reflections included in the refinement: 0.0378
• Goodness-of-fit parameter for all reflections included in the refinement: 1.115
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No