Information card for entry 7250341

Structure parameters

• Formula: C59.4 H72.8 Cl3 Eu O4.35 P2
• Calculated formula: C59.4 H72.8 Cl3 Eu O4.35 P2
• 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: 12.219 ± 0.0005 Å
• b: 15.2856 ± 0.0005 Å
• c: 15.8953 ± 0.0005 Å
• α: 99.216 ± 0.001°
• β: 101.397 ± 0.001°
• γ: 101.472 ± 0.001°
• Cell volume: 2790.01 ± 0.17 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.075
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.0993
• Weighted residual factors for all reflections included in the refinement: 0.109
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No