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Information card for entry 1549196
Preview
| Coordinates | 1549196.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C46 H42 N2 O6 |
|---|---|
| Calculated formula | C46 H42 N2 O6 |
| SMILES | c12Cc3cccc(Cc4cccc(Cc5cccc(Cc(ccc1)c2OCC/N=C/c1ccccc1O)c5O)c4OCC/N=C/c1ccccc1O)c3O |
| Title of publication | Photoluminescence properties of tetrahedral zinc(ii) complexes supported by calix[4]arene-based salicylaldiminato ligands. |
| Authors of publication | Ullmann, Steve; Schnorr, René; Laube, Christian; Abel, Bernd; Kersting, Berthold |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2018 |
| Journal volume | 47 |
| Journal issue | 16 |
| Pages of publication | 5801 - 5811 |
| a | 9.825 ± 0.002 Å |
| b | 14.738 ± 0.003 Å |
| c | 15.021 ± 0.003 Å |
| α | 62.73 ± 0.03° |
| β | 78.35 ± 0.03° |
| γ | 79.95 ± 0.03° |
| Cell volume | 1885.1 ± 0.8 Å3 |
| Cell temperature | 183 ± 2 K |
| Ambient diffraction temperature | 183 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0792 |
| Residual factor for significantly intense reflections | 0.0632 |
| Weighted residual factors for significantly intense reflections | 0.1655 |
| Weighted residual factors for all reflections included in the refinement | 0.1775 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.93 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301779 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/54 Each referenced PubChem compound corresponds to the full crystal structure. |
1549196.cif |
| 229624 | 2019-11-17 | cif/ Updating files of 1549196, 1549197 Original log message: Adding full bibliography for 1549196--1549197.cif. |
1549196.cif |
| 207230 | 2018-04-05 | cif/ Adding structures of 1549196, 1549197 via cif-deposit CGI script. |
1549196.cif |
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Users of the data should acknowledge the original authors of the
structural data.