Information card for entry 4325373

Structure parameters

• Formula: C53 H45 Eu O8 S6 n2
• Calculated formula: C53 H37 Eu N2 O8 S6
• SMILES: [Eu]123(OC(=CC(=[O]1)c1sccc1)c1sccc1)([O]=C(C=C(O2)c1sccc1)c1sccc1)[O]=C(c1sccc1)C=C(O3)c1sccc1.n1c2c3ncccc3ccc2ccc1.O1CCCC1.O1CCCC1
• 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: 12.039 ± 0.008 Å
• b: 30.28 ± 0.02 Å
• c: 14.916 ± 0.011 Å
• α: 90°
• β: 93.89 ± 0.04°
• γ: 90°
• Cell volume: 5425 ± 6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.1558
• Residual factor for significantly intense reflections: 0.0582
• Weighted residual factors for significantly intense reflections: 0.122
• Weighted residual factors for all reflections included in the refinement: 0.1595
• Goodness-of-fit parameter for all reflections included in the refinement: 0.968
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No