Information card for entry 4340533

Structure parameters

• Formula: C56 H60 Eu F12 N O8
• Calculated formula: C56 H60 Eu F12 N O8
• SMILES: [Eu]1234(OC(=CC(=[O]1)C(F)(F)F)c1ccccc1)([O]=C(c1ccccc1)C=C(O2)C(F)(F)F)(OC(=CC(=[O]3)C(F)(F)F)c1ccccc1)[O]=C(c1ccccc1)C=C(O4)C(F)(F)F.[N+](CCCC)(CCCC)(CCCC)CCCC
• Title of publication: A Eu(III) Tetrakis(β-diketonate) Dimeric Complex: Photophysical Properties, Structural Elucidation by Sparkle/AM1 Calculations, and Doping into PMMA Films and Nanowires.
• Authors of publication: Biju, Silvanose; Freire, Ricardo O.; Eom, Yu Kyung; Scopelliti, Rosario; Bünzli, Jean-Claude G; Kim, Hwan Kyu
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 16
• Pages of publication: 8407 - 8417
• a: 22.3666 ± 0.0011 Å
• b: 26.1251 ± 0.0012 Å
• c: 22.8683 ± 0.0012 Å
• α: 90°
• β: 117.368 ± 0.007°
• γ: 90°
• Cell volume: 11867 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1646
• Residual factor for significantly intense reflections: 0.0986
• Weighted residual factors for significantly intense reflections: 0.2678
• Weighted residual factors for all reflections included in the refinement: 0.3498
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No