Information card for entry 1567544

Structure parameters

• Formula: C25 H37 Er
• Calculated formula: C25 H37 Er
• 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: 10.1016 ± 0.0009 Å
• b: 21.6348 ± 0.0019 Å
• c: 10.1842 ± 0.0009 Å
• α: 90°
• β: 99.328 ± 0.004°
• γ: 90°
• Cell volume: 2196.3 ± 0.3 ų
• Cell temperature: 101.96 K
• Ambient diffraction temperature: 101.96 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: 0.0223
• Residual factor for significantly intense reflections: 0.019
• Weighted residual factors for significantly intense reflections: 0.0429
• Weighted residual factors for all reflections included in the refinement: 0.0439
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• 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