Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7225897
Preview
| Coordinates | 7225897.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H20 Cl2 Mg O10 |
|---|---|
| Calculated formula | C16 H20 Cl2 Mg O10 |
| SMILES | [Mg](OC(=O)COc1c(Cl)cccc1)(OC(=O)COc1ccccc1Cl)([OH2])([OH2])([OH2])[OH2] |
| Title of publication | Eco-friendly Microwave Synthesis of Mg(II) Phenoxy Carboxylic Acid Coordination Compounds with Specific Motifs Driven by Multiple Hydrogen Bonding |
| Authors of publication | Xu, Xiuling; Hu, Fan; Yan, Sai sai; Lin, Jian guang; Li, Qing; Shuai, Qi |
| Journal of publication | RSC Adv. |
| Year of publication | 2016 |
| a | 5.184 ± 0.001 Å |
| b | 27.263 ± 0.003 Å |
| c | 7.405 ± 0.001 Å |
| α | 90° |
| β | 107.443 ± 0.002° |
| γ | 90° |
| Cell volume | 998.4 ± 0.3 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0359 |
| Residual factor for significantly intense reflections | 0.0347 |
| Weighted residual factors for significantly intense reflections | 0.097 |
| Weighted residual factors for all reflections included in the refinement | 0.0981 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 184386 (current) | 2016-07-12 | cif/ Adding structures of 7225896, 7225897, 7225898, 7225899 via cif-deposit CGI script. |
7225897.cif |
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.