Information card for entry 7032768

Structure parameters

• Chemical name: Tris(1,1,1-trifluoro-2,4-pentanedionate)mono(2,2'-bipyridine)erbium(III)
• Formula: C25 H20 Er F9 N2 O6
• Calculated formula: C25 H20 Er F9 N2 O6
• Title of publication: Active layer solution-processed NIR-OLEDs based on ternary erbium(iii) complexes with 1,1,1-trifluoro-2,4-pentanedione and different N,N-donors.
• Authors of publication: Martín-Ramos, P; Coya, C.; Lavín, V; Martín, I R; Silva, M. Ramos; Silva, P. S. Pereira; García-Vélez, M; Alvarez, A. L.; Martín-Gil, J
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 48
• Pages of publication: 18087 - 18096
• a: 22.705 ± 0.005 Å
• b: 9.2115 ± 0.0018 Å
• c: 15.646 ± 0.003 Å
• α: 90°
• β: 118.042 ± 0.003°
• γ: 90°
• Cell volume: 2888.2 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.1059
• Residual factor for significantly intense reflections: 0.0725
• Weighted residual factors for significantly intense reflections: 0.1977
• Weighted residual factors for all reflections included in the refinement: 0.2395
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No