Information card for entry 7219442

Structure parameters

• Formula: C37.5 H38 F18 N5 O10 Tb
• Calculated formula: C37.5 H38 F18 N5 O10 Tb
• SMILES: [Tb]1234(ON5C(c6cccc(C7N(C(C(C)(C)[N]=7=O)(C)C)O1)n6)=N(C(C5(C)C)(C)C)=O)([O]=C(C(F)(F)F)C=C(C(F)(F)F)O2)([O]=C(C(F)(F)F)C=C(C(F)(F)F)O3)OC(=CC(=[O]4)C(F)(F)F)C(F)(F)F.CCCCCCC
• Title of publication: A series of heterospin complexes based on lanthanides and pyridine biradicals: synthesis, structure and magnetic properties
• Authors of publication: Tian, Li; Zhou, Shang Yong; Li, Xin; Li, Ting; Liu, Zhong Yi; Wang, Xiuguang
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 12.261 ± 0.003 Å
• b: 12.857 ± 0.003 Å
• c: 31.381 ± 0.006 Å
• α: 89.34 ± 0.03°
• β: 80.44 ± 0.03°
• γ: 75.18 ± 0.03°
• Cell volume: 4713 ± 2 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1146
• Residual factor for significantly intense reflections: 0.0725
• Weighted residual factors for significantly intense reflections: 0.1593
• Weighted residual factors for all reflections included in the refinement: 0.1779
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No