Information card for entry 7715408

Structure parameters

• Formula: C64 H8 Er F45 O3
• Calculated formula: C64 H8 Er F45 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: 13.5916 ± 0.0006 Å
• b: 15.045 ± 0.0005 Å
• c: 18.6919 ± 0.0008 Å
• α: 73.966 ± 0.003°
• β: 79.56 ± 0.003°
• γ: 64.614 ± 0.002°
• Cell volume: 3310.1 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1312
• Residual factor for significantly intense reflections: 0.0725
• Weighted residual factors for significantly intense reflections: 0.1473
• Weighted residual factors for all reflections included in the refinement: 0.1673
• Goodness-of-fit parameter for all reflections included in the refinement: 0.958
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No