Information card for entry 7233199

Structure parameters

• Chemical name: tris(1,1,1-trifluoro-5,5-dimethyl-2,4-hexanedionate) mono(bipyridine)erbium(III)
• Formula: C34 H38 Er F9 N2 O6
• Calculated formula: C34 H38 Er F9 N2 O6
• SMILES: [Er]1234([n]5ccccc5c5[n]1cccc5)([O]=C(C(F)(F)F)C=C(O2)C(C)(C)C)([O]=C(C(F)(F)F)C=C(O3)C(C)(C)C)OC(=CC(=[O]4)C(F)(F)F)C(C)(C)C
• Title of publication: Novel erbium(III) fluorinated beta-diketonate complexes with N,N-donors for optoelectronics: from synthesis to solution-processed devices
• Authors of publication: Pablo Martin-Ramos; Manuela Ramos Silva; Carmen Coya; Carlos Zaldo; Angel Luis Alvarez; Susana Alvarez-Garcia; Ana M. Matos Beja; Jesus Martin-Gil
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2013
• Journal volume: 1
• Pages of publication: 2725 - 2734
• a: 9.6862 ± 0.0005 Å
• b: 12.0313 ± 0.0006 Å
• c: 18.1634 ± 0.001 Å
• α: 100.086 ± 0.003°
• β: 103.81 ± 0.003°
• γ: 101.682 ± 0.003°
• Cell volume: 1956.59 ± 0.18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.064
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.1061
• Weighted residual factors for all reflections included in the refinement: 0.1203
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No