Information card for entry 7058139

Structure parameters

• Formula: C66 H84 Cl N6 O10 Tb Zn2
• Calculated formula: C66 H84 Cl N6 O10 Tb Zn2
• 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: 13.1186 ± 0.0016 Å
• b: 14.117 ± 0.0017 Å
• c: 20.85 ± 0.003 Å
• α: 90.79 ± 0.003°
• β: 105.005 ± 0.002°
• γ: 117.267 ± 0.002°
• Cell volume: 3275.6 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 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: 0.1478
• Residual factor for significantly intense reflections: 0.0727
• Weighted residual factors for significantly intense reflections: 0.1059
• Weighted residual factors for all reflections included in the refinement: 0.1188
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No