Information card for entry 7715804

Structure parameters

• Formula: C64 H46 Dy F9 O8 P2 S3
• Calculated formula: C64 H46 Dy F9 O8 P2 S3
• 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: 14.622 ± 0.0015 Å
• b: 19.582 ± 0.002 Å
• c: 20.966 ± 0.003 Å
• α: 90°
• β: 101.049 ± 0.004°
• γ: 90°
• Cell volume: 5891.9 ± 1.2 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: 0.0837
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.1096
• Weighted residual factors for all reflections included in the refinement: 0.1208
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No