Information card for entry 7240955

Structure parameters

• Formula: C43 H28 F9 N2 O6 Yb
• Calculated formula: C43 H28 F9 N2 O6 Yb
• SMILES: [Yb]1234(OC(=CC(=[O]1)c1ccccc1)C(F)(F)F)(OC(=CC(=[O]2)c1ccccc1)C(F)(F)F)([O]=C(C(F)(F)F)C=C(O3)c1ccccc1)[n]1cccc2cc(c3ccc[n]4c3c12)C
• Title of publication: Visible and NIR emitting Yb(iii) and Er(iii) complexes sensitized by β-diketonates and phenanthroline derivatives
• Authors of publication: Brito-Santos, Gabriela; Gil-Hernández, Beatriz; Martín, Inocencio R.; Guerrero-Lemus, Ricardo; Sanchiz, Joaquín
• Journal of publication: RSC Advances
• Year of publication: 2020
• Journal volume: 10
• Journal issue: 46
• Pages of publication: 27815 - 27823
• a: 10.1647 ± 0.0003 Å
• b: 37.679 ± 0.0009 Å
• c: 10.9281 ± 0.0003 Å
• α: 90°
• β: 91.586 ± 0.002°
• γ: 90°
• Cell volume: 4183.8 ± 0.2 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: 0.0676
• Residual factor for significantly intense reflections: 0.06
• Weighted residual factors for significantly intense reflections: 0.1247
• Weighted residual factors for all reflections included in the refinement: 0.129
• Goodness-of-fit parameter for all reflections included in the refinement: 1.146
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No