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Information card for entry 2021534
Preview
| Coordinates | 2021534.cif |
|---|---|
| Structure factors | 2021534.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-vinyl-1<i>H</i>-imidazole-κ<i>N</i>^3^)copper(II) |
|---|---|
| Formula | C38 H32 Cl4 Cu N6 O4 |
| Calculated formula | C38 H32 Cl4 Cu N6 O4 |
| SMILES | [Cu](OC(=O)Cc1c(Nc2c(Cl)cccc2Cl)cccc1)(OC(=O)Cc1c(Nc2c(Cl)cccc2Cl)cccc1)([n]1cn(cc1)C=C)[n]1cn(cc1)C=C |
| 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 | 15.1741 ± 0.0007 Å |
| b | 7.9241 ± 0.0002 Å |
| c | 16.3037 ± 0.0008 Å |
| α | 90° |
| β | 98.073 ± 0.004° |
| γ | 90° |
| Cell volume | 1940.95 ± 0.14 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 | 0.0791 |
| Residual factor for significantly intense reflections | 0.0555 |
| Weighted residual factors for significantly intense reflections | 0.159 |
| Weighted residual factors for all reflections included in the refinement | 0.1712 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
| 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. |
2021534.cif 2021534.hkl |
| 214000 | 2019-03-06 | cif/ hkl/ Adding structures of 2021533, 2021534, 2021535 via cif-deposit CGI script. |
2021534.cif 2021534.hkl |
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