Information card for entry 7715801

Structure parameters

• Formula: C64 H46 F9 O8 P2 S3 Yb
• Calculated formula: C64 H46 F9 O8 P2 S3 Yb
• Title of publication: Magneto-structural correlation in lanthanide luminescent [2.2]Paracyclophane-based Single-Molecule Magnets
• Authors of publication: Flichot, Hadrien; Sickinger, Annika; Brom, Jules; Lefeuvre, Bertrand; Dorcet, Vincent; Guizouarn, Thierry; Cador, Olivier; Le Guennic, Boris; laurent.micouin@u-paris.fr, laurent.micouin@u-paris.fr; Maury, Olivier; erica.benedetti@u-paris.fr, erica.benedetti@u-paris.fr; Pointillart, Fabrice
• Journal of publication: Dalton Transactions
• Year of publication: 2024
• a: 14.6087 ± 0.001 Å
• b: 19.6278 ± 0.0013 Å
• c: 20.8238 ± 0.0016 Å
• α: 90°
• β: 100.797 ± 0.003°
• γ: 90°
• Cell volume: 5865.2 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0628
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.1075
• Weighted residual factors for all reflections included in the refinement: 0.1174
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No