Information card for entry 4337047

Structure parameters

• Formula: C27 H22 F6 N3 O7 Tb
• Calculated formula: C27 H22 F6 N3 O7 Tb
• SMILES: [Tb]12345(OC(=O)c6[n]1c(ccc6)c1[n]2c(ccc1)c1[n]3cccc1)([O]=C(C(F)(F)F)C=C(O4)C)[O]=C(C(F)(F)F)C=C(O5)C.OC
• Title of publication: Lanthanide Complexes Based on β-Diketonates and a Tetradentate Chromophore Highly Luminescent as Powders and in Polymers
• Authors of publication: Eugen S. Andreiadis; Nicolas Gauthier; Daniel Imbert; Renaud Demadrille; Jacques Pécaut; Marinella Mazzanti
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 14382 - 14390
• a: 17.7241 ± 0.0005 Å
• b: 15.0734 ± 0.0003 Å
• c: 22.6068 ± 0.0008 Å
• α: 90°
• β: 104.927 ± 0.003°
• γ: 90°
• Cell volume: 5835.9 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.127
• Residual factor for significantly intense reflections: 0.0612
• Weighted residual factors for significantly intense reflections: 0.1159
• Weighted residual factors for all reflections included in the refinement: 0.1444
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes