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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) |
|---|---|
| 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 |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180033 (current) | 2016-03-25 | cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/27. |
7032769.cif |
| 128384 | 2014-12-06 | cif/ Updating files of 7032767, 7032768, 7032769 Original log message: Adding full bibliography for 7032767--7032769.cif. |
7032769.cif |
| 125061 | 2014-10-08 | cif/ Adding structures of 7032767, 7032768, 7032769 via cif-deposit CGI script. |
7032769.cif |
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