Information card for entry 7018164

Structure parameters

• Formula: C84 H68 F18 N6 O16 Tb2
• Calculated formula: C84 H68 F18 N6 O16 Tb2
• SMILES: C(C1=CC(=[O][Tb]234([n]5ccc(C6N(O[Tb]789([n]%10ccc(C%11N(O4)C(C(N=%11=O)(C)C)(C)C)cc%10)([O]=C(C(F)(F)F)C=C(c4ccccc4)O7)([O]=C(C(F)(F)F)C=C(O8)c4ccccc4)[O]=C(C(F)(F)F)C=C(O9)c4ccccc4)C(C(N=6=O)(C)C)(C)C)cc5)(O1)([O]=C(C(F)(F)F)C=C(O2)c1ccccc1)[O]=C(C(F)(F)F)C=C(O3)c1ccccc1)c1ccccc1)(F)(F)F
• Title of publication: Modulating spin dynamics of cyclic Ln(III)-radical complexes (Ln(III) = Tb, Dy) by using phenyltrifluoroacetylacetonate coligand.
• Authors of publication: Mei, Xue-Lan; Liu, Rui-Na; Wang, Chao; Yang, Pei-Pei; Li, Li-Cun; Liao, Dai-Zheng
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 10
• Pages of publication: 2904 - 2909
• a: 11.612 ± 0.004 Å
• b: 12.193 ± 0.004 Å
• c: 16.427 ± 0.005 Å
• α: 105.204 ± 0.005°
• β: 101.292 ± 0.004°
• γ: 104.357 ± 0.004°
• Cell volume: 2088 ± 1.2 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 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: 0.0652
• Residual factor for significantly intense reflections: 0.0569
• Weighted residual factors for significantly intense reflections: 0.1043
• Weighted residual factors for all reflections included in the refinement: 0.1081
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No