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Information card for entry 2242941
Preview
| Coordinates | 2242941.cif |
|---|---|
| Structure factors | 2242941.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | Di-μ-chlorido-bis[dichlorido(<i>L</i>-histidinium-κ<i>O</i>)cadmium(II)] |
|---|---|
| Formula | C12 H20 Cd2 Cl6 N6 O4 |
| Calculated formula | C12 H20 Cd2 Cl6 N6 O4 |
| SMILES | [Cd]1([Cl][Cd](Cl)([Cl]1)(Cl)OC(=O)[C@@H]([NH3+])Cc1[nH+]c[nH]c1)(Cl)(Cl)OC(=O)[C@@H]([NH3+])Cc1[nH]c[nH+]c1 |
| Title of publication | Crystal structure of di-μ-chlorido-bis[dichlorido(<small>L</small>-histidinium-κ<i>O</i>)cadmium(II)] |
| Authors of publication | Mohamedi, Nacira; Elleuch, Slim; Boufas, Sihem; Legouira, Messaoud; Djazi, Faiçal |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2019 |
| Journal volume | 75 |
| Journal issue | 6 |
| Pages of publication | 823 - 825 |
| a | 7.154 ± 0.0006 Å |
| b | 8.2591 ± 0.0006 Å |
| c | 10.4459 ± 0.0008 Å |
| α | 108.502 ± 0.002° |
| β | 97.499 ± 0.002° |
| γ | 94.512 ± 0.002° |
| Cell volume | 575.54 ± 0.08 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 6 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.0238 |
| Residual factor for significantly intense reflections | 0.0235 |
| Weighted residual factors for significantly intense reflections | 0.0563 |
| Weighted residual factors for all reflections included in the refinement | 0.0565 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.082 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 215248 (current) | 2019-05-17 | cif/ hkl/ Adding structures of 2242941 via cif-deposit CGI script. |
2242941.cif 2242941.hkl |
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Users of the data should acknowledge the original authors of the
structural data.