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Information card for entry 7220685
Preview
| Coordinates | 7220685.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H17 Cl Cu N2 O3 |
|---|---|
| Calculated formula | C18 H17 Cl Cu N2 O3 |
| SMILES | [Cu]12(Cl)(Oc3c(C=[N]1c1c4[n]2cccc4ccc1)cccc3OCC)[OH2] |
| Title of publication | Syntheses, crystal structures and density functional theory investigations of copper(ii) complexes bearing tridentate Schiff base ligands derived from 8-aminoquinoline |
| Authors of publication | Bhaumik, Prasanta Kumar; Bauzá, Antonio; Drew, Michael G. B.; Frontera, Antonio; Chattopadhyay, Shouvik |
| Journal of publication | CrystEngComm |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 30 |
| Pages of publication | 5664 |
| a | 18.2712 ± 0.0004 Å |
| b | 10.8166 ± 0.0004 Å |
| c | 18.3726 ± 0.0006 Å |
| α | 90° |
| β | 110.64 ± 0.002° |
| γ | 90° |
| Cell volume | 3397.96 ± 0.19 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0292 |
| Residual factor for significantly intense reflections | 0.0252 |
| Weighted residual factors for significantly intense reflections | 0.0692 |
| Weighted residual factors for all reflections included in the refinement | 0.0719 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.935 |
| 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. |
7220685.cif |
| 153100 | 2015-08-08 | cif/ Updating files of 7220683, 7220684, 7220685 Original log message: Adding full bibliography for 7220683--7220685.cif. |
7220685.cif |
| 138215 | 2015-06-05 | cif/ Adding structures of 7220683, 7220684, 7220685 via cif-deposit CGI script. |
7220685.cif |
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Users of the data should acknowledge the original authors of the
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