Information card for entry 7250342

Structure parameters

• Formula: C58 H82 Cl3 Gd O3 P2
• Calculated formula: C58 H82 Cl3 Gd O3 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: 17.3 ± 0.0012 Å
• b: 11.6907 ± 0.0007 Å
• c: 25.6789 ± 0.0018 Å
• α: 90°
• β: 93.668 ± 0.002°
• γ: 90°
• Cell volume: 5182.9 ± 0.6 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0234
• Residual factor for significantly intense reflections: 0.0181
• Weighted residual factors for significantly intense reflections: 0.0431
• Weighted residual factors for all reflections included in the refinement: 0.044
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No