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Information card for entry 7032769
Preview
Coordinates | 7032769.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | Tris(1,1,1-trifluoro-2,4-pentanedionate)mono(bathophenanthroline)erbium(III) |
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Formula | C39 H28 Er F9 N2 O6 |
Calculated formula | C39 H28 Er F9 N2 O6 |
SMILES | [Er]1234([n]5ccc(c6ccc7c(cc[n]1c7c56)c1ccccc1)c1ccccc1)(OC(=CC(=[O]2)C(F)(F)F)C)([O]=C(C)C=C(O3)C(F)(F)F)[O]=C(C)C=C(O4)C(F)(F)F |
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 | 17.2382 ± 0.0004 Å |
b | 16.2042 ± 0.0003 Å |
c | 14.0954 ± 0.0003 Å |
α | 90° |
β | 102.474 ± 0.001° |
γ | 90° |
Cell volume | 3844.34 ± 0.14 Å3 |
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 | 0.0763 |
Residual factor for significantly intense reflections | 0.0377 |
Weighted residual factors for significantly intense reflections | 0.0784 |
Weighted residual factors for all reflections included in the refinement | 0.0929 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.006 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7032769.html
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Users of the data should acknowledge the original authors of the
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