Information card for entry 7224720

Structure parameters

• Chemical name: [Tb(MAA)3(phen)]
• Formula: C27 H29 N2 O9 Tb
• Calculated formula: C27 H29 N2 O9 Tb
• SMILES: [Tb]1234([n]5cccc6ccc7ccc[n]1c7c56)([O]=C(C=C(O2)OC)C)([O]=C(C=C(OC)O3)C)[O]=C(C=C(O4)OC)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: 9.3684 ± 0.0002 Å
• b: 16.6936 ± 0.0003 Å
• c: 18.2672 ± 0.0004 Å
• α: 83.1135 ± 0.001°
• β: 88.7925 ± 0.001°
• γ: 87.0863 ± 0.0008°
• Cell volume: 2832.25 ± 0.1 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: 0.0698
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.1252
• Weighted residual factors for all reflections included in the refinement: 0.1436
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No