Information card for entry 7035530

Structure parameters

• Formula: C28 H21 F18 N3 O9 Tb
• Calculated formula: C28 H21 F18 N3 O9 Tb
• SMILES: [Tb]12345([n]6c([O]3C)cccc6C3N(C(C(N=3=O)(C)C)(C)C)O2)([O]=C(C=C(O1)C(F)(F)F)C(F)(F)F)([O]=C(C(F)(F)F)C=C(C(F)(F)F)O4)OC(=CC(=[O]5)C(F)(F)F)C(F)(F)F
• Title of publication: Unusual Gd-nitronyl nitroxide antiferromagnetic coupling and slow magnetic relaxation in the corresponding Tb analogue.
• Authors of publication: Wang, Xiufeng; Zhu, Mei; Wang, Juanjuan; Li, Licun
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 31
• Pages of publication: 13890 - 13896
• a: 14.214 ± 0.003 Å
• b: 13.166 ± 0.003 Å
• c: 19.343 ± 0.004 Å
• α: 90°
• β: 93.41 ± 0.03°
• γ: 90°
• Cell volume: 3613.5 ± 1.4 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 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: 0.0252
• Residual factor for significantly intense reflections: 0.0222
• Weighted residual factors for significantly intense reflections: 0.0553
• Weighted residual factors for all reflections included in the refinement: 0.0567
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No