Information card for entry 7715409

Structure parameters

• Formula: C60 H10 Er F45 O4 Si
• Calculated formula: C60 H9.9999 Er F45 O3.9999 Si
• Title of publication: Luminescent Er³⁺ based single molecule magnets with fluorinated alkoxide or aryloxide ligands.
• Authors of publication: Selikhov, Alexander N.; Félix, Gautier; Lyubov, Dmitry M.; Nelyubina, Yulia V.; Cherkasov, Anton V.; Sene, Saad; Taydakov, Ilya V.; Metlin, Mikhail T.; Tyutyunov, Andrey A.; Guari, Yannick; Larionova, Joulia; Trifonov, Alexander A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 14
• Pages of publication: 6352 - 6366
• a: 17.2887 ± 0.0003 Å
• b: 17.2887 ± 0.0003 Å
• c: 35.2684 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 9129.4 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0363
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for significantly intense reflections: 0.0899
• Weighted residual factors for all reflections included in the refinement: 0.0935
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No