Information card for entry 7715407

Structure parameters

• Formula: C63 H19 Er F45 N O3 Si2
• Calculated formula: C63 H19 Er F45 N O3 Si2
• SMILES: C1(c2c(c(c(c(c2F)F)F)F)[F][Er]2([F]c3c(C(c4c(c(c(c(c4F)F)F)F)F)(c4c(c(c(c(c4F)F)F)F)F)O2)c(c(c(c3F)F)F)F)([NH]([Si](C)(C)C)[Si](C)(C)C)(O1)OC(c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F
• 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: 14.7886 ± 0.0004 Å
• b: 15.4929 ± 0.0004 Å
• c: 18.0735 ± 0.0004 Å
• α: 94.937 ± 0.001°
• β: 112.07 ± 0.001°
• γ: 96.026 ± 0.001°
• Cell volume: 3780.78 ± 0.17 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0663
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.1051
• Weighted residual factors for all reflections included in the refinement: 0.1125
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No