Information card for entry 7715410

Structure parameters

• Formula: C66 H13 Er F45 N O3
• Calculated formula: C66 H13 Er F45 N O3
• 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: 15.025 ± 0.0004 Å
• b: 15.1826 ± 0.0004 Å
• c: 15.506 ± 0.0004 Å
• α: 84.472 ± 0.001°
• β: 83.219 ± 0.002°
• γ: 83.909 ± 0.002°
• Cell volume: 3480.03 ± 0.16 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0528
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.0995
• Weighted residual factors for all reflections included in the refinement: 0.1044
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No