Information card for entry 7213935

Structure parameters

• Formula: C21 H11 F18 N4 O6 Tb
• Calculated formula: C21 H11 F18 N4 O6 Tb
• Title of publication: A new D2d-symmetry DyIII mononuclear single-molecule magnet containing a monodentate N-heterocyclic donor ligand
• Authors of publication: Wang, Ya-Li; Gu, Bin; Ma, Yue; Xing, Cui; Wang, Qing-Lun; Li, Li-Cun; Cheng, Peng; Liao, Dai-Zheng
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 11
• Pages of publication: 2283
• a: 8.94 ± 0.0018 Å
• b: 22.222 ± 0.004 Å
• c: 15.95 ± 0.003 Å
• α: 90°
• β: 97.63 ± 0.03°
• γ: 90°
• Cell volume: 3140.6 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0695
• Residual factor for significantly intense reflections: 0.0551
• Weighted residual factors for significantly intense reflections: 0.1338
• Weighted residual factors for all reflections included in the refinement: 0.1428
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No