Information card for entry 7058136

Structure parameters

• Formula: C66 H84 N6 O7 Tb2
• Calculated formula: C66 H84 N6 O7 Tb2
• Title of publication: TbIII/3d‒TbIII clusters derived from a 1,4,7-triazacyclononane-based hexadentate ligand with field-induced slow magnetic relaxation and oxygen-sensitive luminescence
• Authors of publication: Wen, He-Rui; Zhang, Jia-Li; Liang, Fu-Yong; Yang, Kai; Liu, Sui-Jun; Liao, Jin-Sheng; Liu, Cai-Ming
• Journal of publication: New Journal of Chemistry
• Year of publication: 2019
• Journal volume: 43
• Journal issue: 10
• Pages of publication: 4067
• a: 13.445 ± 0.0018 Å
• b: 13.445 ± 0.0018 Å
• c: 29.702 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4649.8 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.095
• Residual factor for significantly intense reflections: 0.0756
• Weighted residual factors for significantly intense reflections: 0.1906
• Weighted residual factors for all reflections included in the refinement: 0.2153
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No