Information card for entry 7105470

Structure parameters

• Formula: C44 H32 F9 N2 O11 Tb
• Calculated formula: C44 H32 F9 N2 O11 Tb
• SMILES: C(C1=CC(c2ccco2)=[O][Tb]234([N]5=C(C6=[N]2[C@@H](Cc2ccccc2)CO6)OC[C@@H]5Cc2ccccc2)(O1)([O]=C(C(F)(F)F)C=C(c1ccco1)O3)[O]=C(C(F)(F)F)C=C(c1ccco1)O4)(F)(F)F
• Title of publication: Single-ion magnets based on mononuclear lanthanide complexes with chiral Schiff base ligands [Ln(FTA)3L] (Ln = Sm, Eu, Gd, Tb and Dy).
• Authors of publication: Li, Dong-Ping; Wang, Tian-Wei; Li, Cheng-Hui; Liu, Dong-Sheng; Li, Yi-Zhi; You, Xiao-Zeng
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 17
• Pages of publication: 2929 - 2931
• a: 10.4758 ± 0.0016 Å
• b: 10.4758 ± 0.0016 Å
• c: 34.546 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3283.2 ± 1 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 6
• Space group number: 145
• Hermann-Mauguin space group symbol: P 32
• Hall space group symbol: P 32
• Residual factor for all reflections: 0.0609
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.1046
• Weighted residual factors for all reflections included in the refinement: 0.1075
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No