Information card for entry 4325374

Structure parameters

• Formula: C51 H32 Eu F9 O6 S6 n2
• Calculated formula: C51 H32 Eu F9 N2 O6 S6
• SMILES: [Eu]123([O]=C(C=C(c4ccc(c5ccc(C)s5)s4)O1)C(F)(F)F)(OC(=CC(C(F)(F)F)=[O]2)c1ccc(c2ccc(C)s2)s1)[O]=C(C=C(c1ccc(c2ccc(C)s2)s1)O3)C(F)(F)F.c1cc2cccnc2c2c1cccn2
• Title of publication: Thiophene Based Europium β-Diketonate Complexes: Effect of the Ligand Structure on the Emission Quantum yield
• Authors of publication: Christelle Freund; William Porzio; Umberto Giovanella; Francesco Vignali; Mariacecilia Pasini; Silvia Destri; Agnieszka Mech; Sebastiano Di Pietro; Lorenzo Di Bari; Placido Mineo
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 5417 - 5429
• a: 37.363 ± 0.016 Å
• b: 10.536 ± 0.005 Å
• c: 30.808 ± 0.013 Å
• α: 90°
• β: 106.842 ± 0.014°
• γ: 90°
• Cell volume: 11608 ± 9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.1961
• Residual factor for significantly intense reflections: 0.1658
• Weighted residual factors for significantly intense reflections: 0.3633
• Weighted residual factors for all reflections included in the refinement: 0.381
• Goodness-of-fit parameter for all reflections included in the refinement: 1.308
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No