Information card for entry 7224721

Structure parameters

• Chemical name: [Yb(MAA)3(phen)]
• Formula: C27 H29 N2 O9 Yb
• Calculated formula: C27 H29 N2 O9 Yb
• SMILES: [Yb]1234([n]5cccc6ccc7ccc[n]1c7c56)(OC(=CC(=[O]2)C)OC)([O]=C(C=C(O3)OC)C)[O]=C(OC)C=C(O4)C
• Title of publication: The conjugate base of methyl 3-oxobutanoate as antenna-ligand in visible-emitting photoluminescent lanthanide complexes
• Authors of publication: Bortoluzzi, Marco; Reolon, Andrea; Castro, Jesús; Enrichi, Francesco; Albertin, Gabriele; Bragato, Carlo
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 13.1594 ± 0.0006 Å
• b: 16.6828 ± 0.0008 Å
• c: 16.7793 ± 0.0008 Å
• α: 88.5817 ± 0.0016°
• β: 72.2913 ± 0.0014°
• γ: 66.8382 ± 0.0014°
• Cell volume: 3207.3 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0385
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.0998
• Weighted residual factors for all reflections included in the refinement: 0.1043
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No