Information card for entry 1567545

Structure parameters

• Formula: C25 H37 Dy
• Calculated formula: C25 H37 Dy
• SMILES: [Dy]123456789%10%11([cH]%12[c]%11(C(C)(C)C)[c]3(C(C)(C)C)[cH]2[c]1%12C(C)(C)C)[CH]1=[CH]9[CH]4=[CH]%10[CH]7=[CH]6[CH]5=[CH]81
• Title of publication: Cyclooctatetraenide-based single-ion magnets featuring bulky cyclopentadienyl ligand
• Authors of publication: Korzyński, Maciej Damian; Bernhardt, Moritz; Romankov, Vladyslav; Dreiser, Jan; Matmon, Guy; Pointillart, Fabrice; Le Guennic, Boris; Cador, Olivier; Copéret, Christophe
• Journal of publication: Chemical Science
• Year of publication: 2022
• a: 10.1186 ± 0.0008 Å
• b: 21.6751 ± 0.0017 Å
• c: 10.1771 ± 0.0008 Å
• α: 90°
• β: 99.224 ± 0.003°
• γ: 90°
• Cell volume: 2203.2 ± 0.3 ų
• Cell temperature: 100.02 K
• Ambient diffraction temperature: 100.02 K
• Number of distinct elements: 3
• 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: 0.0355
• Residual factor for significantly intense reflections: 0.0234
• Weighted residual factors for significantly intense reflections: 0.0413
• Weighted residual factors for all reflections included in the refinement: 0.0439
• 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
• Diffraction radiation X-ray symbol: K-L~3~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No