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Information card for entry 2021710
Preview
| Coordinates | 2021710.cif |
|---|---|
| Structure factors | 2021710.hkl |
| Original IUCr paper | HTML |
| Chemical name | Diaqua(6,6'-{(1<i>E</i>,1'<i>E</i>)-[1,2-phenylenebis(azanylylidene)]bis(methanylylidene)}bis(2-methoxyphenolato)-κ^4^<i>O</i>^1^,<i>N</i>,<i>N</i>',<i>O</i>^1'^)aluminium(III) nitrate ethanol monosolvate |
|---|---|
| Formula | C24 H28 Al N3 O10 |
| Calculated formula | C24 H28 Al N3 O10 |
| Title of publication | Synthesis, crystal structures, photoluminescence, electrochemistry and DFT study of aluminium(III) and gallium(III) complexes containing a novel tetradentate Schiff base ligand |
| Authors of publication | Truscott, James Charles; Conradie, Jeanet; Swart, Hendrik C.; Duvenhage, Mart-Marie; Visser, Hendrik Gideon |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2019 |
| Journal volume | 75 |
| Journal issue | 8 |
| a | 12.413 ± 0.005 Å |
| b | 13.394 ± 0.005 Å |
| c | 16.368 ± 0.005 Å |
| α | 87.899 ± 0.005° |
| β | 79.578 ± 0.005° |
| γ | 66.635 ± 0.005° |
| Cell volume | 2455.1 ± 1.5 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1089 |
| Residual factor for significantly intense reflections | 0.0562 |
| Weighted residual factors for significantly intense reflections | 0.1316 |
| Weighted residual factors for all reflections included in the refinement | 0.1627 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.019 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 216793 (current) | 2019-07-06 | cif/ hkl/ Adding structures of 2021710, 2021711 via cif-deposit CGI script. |
2021710.cif 2021710.hkl |
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Users of the data should acknowledge the original authors of the
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