Information card for entry 7713998

Structure parameters

• Chemical name: Monoclinic
• Formula: C52 H34 Cl F6 N5 O5 S2 Tb
• Calculated formula: C52 H34 Cl F6 N5 O5 S2 Tb
• SMILES: [Tb]1234(OC(c5sccc5)=CC(=[O]1)C(F)(F)F)([OH2])(OC(=CC(=[O]2)C(F)(F)F)c1sccc1)[n]1c(cc(cc1c1[n]4cccc1)c1ccc(c2nc4c([nH]2)c2c(c5ccccc45)cccc2)cc1)c1[n]3cccc1.[Cl-]
• Title of publication: Synthesis, characterization, luminescence properties and deciphering the role of a terpyridyl-imidazole based ligand in the dissimilar luminescence sensitization of ternary lanthanide(iii) tris-(β-diketonate) complexes
• Authors of publication: Ahmed, Toushique; Chakraborty, Amit; Paul, Animesh; Baitalik, Sujoy
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 10.9321 ± 0.0003 Å
• b: 25.148 ± 0.0007 Å
• c: 40.0049 ± 0.0011 Å
• α: 90°
• β: 93.586 ± 0.002°
• γ: 90°
• Cell volume: 10976.6 ± 0.5 ų
• Cell temperature: 108 K
• Ambient diffraction temperature: 108 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1427
• Residual factor for significantly intense reflections: 0.1276
• Weighted residual factors for significantly intense reflections: 0.2638
• Weighted residual factors for all reflections included in the refinement: 0.2719
• Goodness-of-fit parameter for all reflections included in the refinement: 1.165
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No