Information card for entry 7250344

Structure parameters

• Formula: C66 H109 Cl3 O10.5 P2 Tb
• Calculated formula: C66 H106 Cl3 O10.5 P2 Tb
• Title of publication: Different mechanisms for lanthanide(III) sensitization and Yb-field-induced single-molecule magnet behaviour in a series of pentagonal bipyramidal and octahedral lanthanide complexes with axial phosphine oxide ligands.
• Authors of publication: Allia, Hadjer; Rodríguez Expósito, Ana; Palacios, Maria A.; Jiménez, Juan Ramón; Carneiro Neto, Albano; Moura Jr., Renaldo T.; Piccinelli, Fabio; Navarro, Amparo; Quesada-Moreno, María Mar; Colacio, Enrique
• Journal of publication: Physical Chemistry Chemical Physics
• Year of publication: 2025
• a: 24.1557 ± 0.0006 Å
• b: 24.1557 ± 0.0006 Å
• c: 12.2 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7118.7 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 78
• Hermann-Mauguin space group symbol: P 43
• Hall space group symbol: P 4cw
• Residual factor for all reflections: 0.03
• Residual factor for significantly intense reflections: 0.0297
• Weighted residual factors for significantly intense reflections: 0.0773
• Weighted residual factors for all reflections included in the refinement: 0.0775
• Goodness-of-fit parameter for all reflections included in the refinement: 1.185
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No