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Information card for entry 2021535
Preview
| Coordinates | 2021535.cif |
|---|---|
| Structure factors | 2021535.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis{2-[2-(2,6-dichloroanilino)phenyl]acetato-κ^2^<i>O</i>,<i>O</i>'}bis(1<i>H</i>-imidazole-κ<i>N</i>^3^)copper(II) |
|---|---|
| Formula | C34 H28 Cl4 Cu N6 O4 |
| Calculated formula | C34 H28 Cl4 Cu N6 O4 |
| SMILES | [Cu](OC(=O)Cc1c(Nc2c(Cl)cccc2Cl)cccc1)(OC(=O)Cc1c(Nc2c(Cl)cccc2Cl)cccc1)([n]1cc[nH]c1)[n]1cc[nH]c1 |
| Title of publication | Synthesis, crystal structures and characterizations of three new copper(II) complexes including anti-inflammatory diclofenac |
| Authors of publication | Hamamci Alisir, Sevim; Dege, Necmi; Tapramaz, Recep |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2019 |
| Journal volume | 75 |
| Journal issue | 4 |
| Pages of publication | 388 - 397 |
| a | 7.6526 ± 0.0004 Å |
| b | 7.5494 ± 0.0005 Å |
| c | 31.071 ± 0.002 Å |
| α | 90° |
| β | 96.277 ± 0.005° |
| γ | 90° |
| Cell volume | 1784.29 ± 0.19 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0946 |
| Residual factor for significantly intense reflections | 0.0621 |
| Weighted residual factors for significantly intense reflections | 0.1683 |
| Weighted residual factors for all reflections included in the refinement | 0.1852 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.004 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 214918 (current) | 2019-05-03 | cif/ Updating files of 2021533, 2021534, 2021535 Original log message: Adding full bibliography for 2021533--2021535.cif. |
2021535.cif 2021535.hkl |
| 214000 | 2019-03-06 | cif/ hkl/ Adding structures of 2021533, 2021534, 2021535 via cif-deposit CGI script. |
2021535.cif 2021535.hkl |
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Users of the data should acknowledge the original authors of the
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