Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2242896
Preview
| Coordinates | 2242896.cif |
|---|---|
| Structure factors | 2242896.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | Dimethylammonium bis[3-carboxy-2-(dimethylamino)propanoato-κ^2^<i>N</i>,<i>O</i>^1^]\ chloridochromium(II) monohydrate |
|---|---|
| Formula | C14 H30 Cl Cr N3 O9 |
| Calculated formula | C14 H30 Cl Cr N3 O9 |
| SMILES | [Cr]12(Cl)(OC(=O)[C@@H]([N]1(C)C)CC(=O)O)OC(=O)[C@@H]([N]2(C)C)CC(=O)O.[NH2+](C)C.O |
| Title of publication | Sonochemical synthesis and crystal structure of dimethylammonium bis[3-carboxy-2-(dimethylamino)propanoato-κ^2^<i>N</i>,<i>O</i>^1^]chloridochromium(II) monohydrate |
| Authors of publication | Saidi, Meriem; Giorgi, Michel; Boukli-hacene, Leila |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2019 |
| Journal volume | 75 |
| Journal issue | 5 |
| Pages of publication | 604 - 606 |
| a | 8.2246 ± 0.0002 Å |
| b | 15.1419 ± 0.0004 Å |
| c | 8.6851 ± 0.0002 Å |
| α | 90° |
| β | 93.339 ± 0.002° |
| γ | 90° |
| Cell volume | 1079.77 ± 0.05 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 297 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0533 |
| Residual factor for significantly intense reflections | 0.0525 |
| Weighted residual factors for significantly intense reflections | 0.143 |
| Weighted residual factors for all reflections included in the refinement | 0.1459 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.076 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 214583 (current) | 2019-04-10 | cif/ hkl/ Adding structures of 2242896 via cif-deposit CGI script. |
2242896.cif 2242896.hkl |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.