Information card for entry 7715803

Structure parameters

• Formula: C55 H37 Dy F18 O8 P2
• Calculated formula: C55 H37 Dy F18 O8 P2
• 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: 14.0066 ± 0.0011 Å
• b: 19.4597 ± 0.0017 Å
• c: 20.4412 ± 0.0018 Å
• α: 90°
• β: 92.335 ± 0.003°
• γ: 90°
• Cell volume: 5566.9 ± 0.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.0576
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.1253
• Weighted residual factors for all reflections included in the refinement: 0.1334
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No