Information card for entry 7023685

Structure parameters

• Formula: C24 H16 F18 N2 O7 Tb
• Calculated formula: C24 H16 F18 N2 O7 Tb
• SMILES: [Tb]1234([O]=[N](c5[n]4cccc5)C(C)(C)C)(OC(=CC(=[O]1)C(F)(F)F)C(F)(F)F)(OC(=CC(=[O]2)C(F)(F)F)C(F)(F)F)OC(=CC(=[O]3)C(F)(F)F)C(F)(F)F
• Title of publication: Single-molecule magnet [Tb(hfac)3(2pyNO)] (2pyNO = t-butyl 2-pyridyl nitroxide) with a relatively high barrier of magnetization reversal.
• Authors of publication: Murakami, Rina; Ishida, Takayuki; Yoshii, Shunsuke; Nojiri, Hiroyuki
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 38
• Pages of publication: 13968 - 13973
• a: 9.491 ± 0.003 Å
• b: 15.518 ± 0.005 Å
• c: 22.24 ± 0.005 Å
• α: 73.068 ± 0.011°
• β: 87.907 ± 0.012°
• γ: 88.39 ± 0.012°
• Cell volume: 3130.9 ± 1.6 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 significantly intense reflections: 0.048
• Weighted residual factors for all reflections included in the refinement: 0.0962
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No