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Information card for entry 7032767
Preview
| Coordinates | 7032767.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | Tris(1,1,1-trifluoro-2,4-pentanedionate)mono(5-nitro-1,10-phenanthroline)erbium(III) |
|---|---|
| Formula | C27 H19 Er F9 N3 O8 |
| Calculated formula | C27 H19 Er F9 N3 O8 |
| SMILES | [Er]1234([O]=C(C=C(O1)C(F)(F)F)C)(OC(=CC(=[O]3)C(F)(F)F)C)([n]1cccc3cc(c5ccc[n]2c5c13)N(=O)=O)OC(=CC(=[O]4)C)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 | 9.7956 ± 0.0009 Å |
| b | 14.8137 ± 0.0015 Å |
| c | 24.0161 ± 0.0018 Å |
| α | 90° |
| β | 114.072 ± 0.003° |
| γ | 90° |
| Cell volume | 3181.9 ± 0.5 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 | 0.1459 |
| Residual factor for significantly intense reflections | 0.067 |
| Weighted residual factors for significantly intense reflections | 0.1639 |
| Weighted residual factors for all reflections included in the refinement | 0.196 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
| 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. |
7032767.cif |
| 128384 | 2014-12-06 | cif/ Updating files of 7032767, 7032768, 7032769 Original log message: Adding full bibliography for 7032767--7032769.cif. |
7032767.cif |
| 125061 | 2014-10-08 | cif/ Adding structures of 7032767, 7032768, 7032769 via cif-deposit CGI script. |
7032767.cif |
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