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Information card for entry 4112802
Preview
| Coordinates | 4112802.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H18 O4 |
|---|---|
| Calculated formula | C24 H18 O4 |
| SMILES | c1ccccc1C(/C=C(O)/c1cccc(c1)C(=O)/C=C(O)/c1ccccc1)=O |
| Title of publication | Highly Luminescent, Triple- and Quadruple-Stranded, Dinuclear Eu, Nd, and Sm(III) Lanthanide Complexes Based on Bis-Diketonate Ligands |
| Authors of publication | Andrew P. Bassett; Steven W. Magennis; Peter B. Glover; David J. Lewis; Neil Spencer; Simon Parsons; René M. Williams; Luisa De Cola; Zoe Pikramenou |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2004 |
| Journal volume | 126 |
| Pages of publication | 9413 - 9424 |
| a | 5.2013 ± 0.0005 Å |
| b | 16.6336 ± 0.0015 Å |
| c | 20.8923 ± 0.0018 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1807.5 ± 0.3 Å3 |
| Cell temperature | 160 ± 2 K |
| Ambient diffraction temperature | 160 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.1018 |
| Residual factor for significantly intense reflections | 0.0793 |
| Weighted residual factors for significantly intense reflections | 0.2061 |
| Weighted residual factors for all reflections included in the refinement | 0.2499 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.102 |
| Diffraction radiation wavelength | 0.6875 Å |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 211332 (current) | 2018-10-05 | cif/ Fixing enumeration values for CIF data items _atom_sites_solution_* using cif_fix_values. Data item relocations and exclusion of CIF comment lines might have occurred due to the usage of cif_filter. |
4112802.cif |
| 178899 | 2016-03-22 | cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/28. |
4112802.cif |
| 120077 | 2014-07-12 | Adding DOIs to range 4/11 structures. | 4112802.cif |
| 65218 | 2012-09-05 | cif/ Adding structures of 4112802 via cif-deposit CGI script. |
4112802.cif |
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Users of the data should acknowledge the original authors of the
structural data.