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Information card for entry 4511606
Preview
| Coordinates | 4511606.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C52 H38 N4 O6 Tl2 |
|---|---|
| Calculated formula | C52 H38 N4 O6 Tl2 |
| SMILES | [Tl]12([O](C(=O)C(O)(c3ccccc3)c3ccccc3)[Tl]3([O]2C(=O)C(O)(c2ccccc2)c2ccccc2)[n]2cccc4ccc5ccc[n]3c5c24)[n]2cccc3ccc4ccc[n]1c4c23 |
| Title of publication | Structure Lattice-Dimensionality and Spectroscopic Property Correlations in Novel Binary and Ternary Materials of Group 13 Elements with α-Hydroxycarboxylic Benzilic Acid and Phenanthroline |
| Authors of publication | Halevas, E.; Hatzidimitriou, A.; Bertmer, M.; Vangelis, A. A.; Antzara, A.; Mateescu, C.; Salifoglou, A. |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2014 |
| Journal volume | 14 |
| Journal issue | 8 |
| Pages of publication | 4041 |
| a | 11.2273 ± 0.0006 Å |
| b | 17.5817 ± 0.0009 Å |
| c | 11.7154 ± 0.0006 Å |
| α | 90° |
| β | 112.885 ± 0.002° |
| γ | 90° |
| Cell volume | 2130.53 ± 0.19 Å3 |
| Cell temperature | 295 K |
| Ambient diffraction temperature | 295 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0835 |
| Residual factor for significantly intense reflections | 0.0523 |
| Weighted residual factors for all reflections | 0.1222 |
| Weighted residual factors for significantly intense reflections | 0.1019 |
| Weighted residual factors for all reflections included in the refinement | 0.1019 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.9993 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179663 (current) | 2016-03-24 | cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/16. |
4511606.cif |
| 122835 | 2014-09-06 | cif/ Updating files of 4511601, 4511602, 4511603, 4511604, 4511605, 4511606, 4511607 Original log message: Adding full bibliography for 4511601--4511607.cif. |
4511606.cif |
| 119915 | 2014-07-10 | cif/ Adding structures of 4511606 via cif-deposit CGI script. |
4511606.cif |
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Users of the data should acknowledge the original authors of the
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