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Information card for entry 4340533
Preview
| Coordinates | 4340533.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C56 H60 Eu F12 N O8 |
|---|---|
| Calculated formula | C56 H60 Eu F12 N O8 |
| SMILES | [Eu]1234(OC(=CC(=[O]1)C(F)(F)F)c1ccccc1)([O]=C(c1ccccc1)C=C(O2)C(F)(F)F)(OC(=CC(=[O]3)C(F)(F)F)c1ccccc1)[O]=C(c1ccccc1)C=C(O4)C(F)(F)F.[N+](CCCC)(CCCC)(CCCC)CCCC |
| Title of publication | A Eu(III) Tetrakis(β-diketonate) Dimeric Complex: Photophysical Properties, Structural Elucidation by Sparkle/AM1 Calculations, and Doping into PMMA Films and Nanowires. |
| Authors of publication | Biju, Silvanose; Freire, Ricardo O.; Eom, Yu Kyung; Scopelliti, Rosario; Bünzli, Jean-Claude G; Kim, Hwan Kyu |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2014 |
| Journal volume | 53 |
| Journal issue | 16 |
| Pages of publication | 8407 - 8417 |
| a | 22.3666 ± 0.0011 Å |
| b | 26.1251 ± 0.0012 Å |
| c | 22.8683 ± 0.0012 Å |
| α | 90° |
| β | 117.368 ± 0.007° |
| γ | 90° |
| Cell volume | 11867 ± 1.3 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 | 0.1646 |
| Residual factor for significantly intense reflections | 0.0986 |
| Weighted residual factors for significantly intense reflections | 0.2678 |
| Weighted residual factors for all reflections included in the refinement | 0.3498 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.014 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179508 (current) | 2016-03-23 | cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/05. |
4340533.cif |
| 122924 | 2014-09-06 | cif/ Updating files of 4340533 Original log message: Adding full bibliography for 4340533.cif. |
4340533.cif |
| 120838 | 2014-07-29 | cif/ Adding structures of 4340533 via cif-deposit CGI script. |
4340533.cif |
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Users of the data should acknowledge the original authors of the
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