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Information card for entry 7055038
Preview
| Coordinates | 7055038.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H22 Cl Cu N3 O6 |
|---|---|
| Calculated formula | C18 H22 Cl Cu N3 O6 |
| SMILES | [Cu]1234Oc5c(C=[N]3CC[N]2(Cc2cccc[n]12)CCC[OH]4)cccc5.Cl(=O)(=O)(=O)[O-] |
| Title of publication | Probing the effect of arm length and inter- and intramolecular interactions in the formation of Cu(ii) complexes of Schiff base ligands derived from some unsymmetrical tripodal amines |
| Authors of publication | Keypour, Hassan; Shayesteh, Maryam; Salehzadeh, Sadegh; Dhers, Sébastien; Maleki, Farahnaz; Ünver, Hüseyin; Dilek, Nefise |
| Journal of publication | New J. Chem. |
| Year of publication | 2015 |
| Journal volume | 39 |
| Journal issue | 9 |
| Pages of publication | 7429 |
| a | 19.0697 ± 0.0004 Å |
| b | 10.6833 ± 0.0002 Å |
| c | 18.9974 ± 0.0003 Å |
| α | 90° |
| β | 95.766 ± 0.002° |
| γ | 90° |
| Cell volume | 3850.71 ± 0.12 Å3 |
| Cell temperature | 89 ± 2 K |
| Ambient diffraction temperature | 89 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | I 1 2/a 1 |
| Hall space group symbol | -I 2ya |
| Residual factor for all reflections | 0.0404 |
| Residual factor for significantly intense reflections | 0.0382 |
| Weighted residual factors for significantly intense reflections | 0.1218 |
| Weighted residual factors for all reflections included in the refinement | 0.1244 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.089 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176428 (current) | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
7055038.cif |
| 155214 | 2015-09-08 | cif/ Updating files of 7055035, 7055036, 7055037, 7055038, 7055039 Original log message: Adding full bibliography for 7055035--7055039.cif. |
7055038.cif |
| 152659 | 2015-07-31 | cif/ Adding structures of 7055035, 7055036, 7055037, 7055038, 7055039 via cif-deposit CGI script. |
7055038.cif |
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Users of the data should acknowledge the original authors of the
structural data.