Information card for entry 7047583

Structure parameters

• Formula: C63 H91 N31 O37 Tb2
• Calculated formula: C63 H61 N31 O22 Tb2
• Title of publication: A new salicylaldehyde-based azo dye and its two lanthanide(iii) complexes displaying slow magnetic relaxation.
• Authors of publication: He, Jian-Qiang; Xie, Shang-Fang; Lai, Bi-Lin; Yang, Meng; Chen, Wen-Bin; Zhang, Yi-Quan; Dong, Wen
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 42
• Pages of publication: 14975 - 14984
• a: 18.5473 ± 0.0005 Å
• b: 24.3836 ± 0.0007 Å
• c: 20.4332 ± 0.0008 Å
• α: 90°
• β: 99.276 ± 0.003°
• γ: 90°
• Cell volume: 9120.1 ± 0.5 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• 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: 0.1396
• Residual factor for significantly intense reflections: 0.0941
• Weighted residual factors for significantly intense reflections: 0.2552
• Weighted residual factors for all reflections included in the refinement: 0.2923
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No