Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7234647
Preview
| Coordinates | 7234647.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H30 Cl6 Cu N4 O |
|---|---|
| Calculated formula | C18 H30 Cl6 Cu N4 O |
| Title of publication | Stoichiometry mechanosynthesis and interconversion of metal salts containing [CuCl3(H2O)]- and [Cu2Cl8]4- |
| Authors of publication | Guo, Fang; Li, Hai Tao; Famulari, Antonino; Xin, Lianxin; Zhou, Hongjian; Zhang, Peng |
| Journal of publication | CrystEngComm |
| Year of publication | 2019 |
| a | 6.978 ± 0.0006 Å |
| b | 14.762 ± 0.0013 Å |
| c | 12.3395 ± 0.001 Å |
| α | 90° |
| β | 100.14 ± 0.003° |
| γ | 90° |
| Cell volume | 1251.23 ± 0.18 Å3 |
| Cell temperature | 298 K |
| Ambient diffraction temperature | 298 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 | 0.0322 |
| Residual factor for significantly intense reflections | 0.0303 |
| Weighted residual factors for significantly intense reflections | 0.0734 |
| Weighted residual factors for all reflections included in the refinement | 0.0749 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.066 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 219376 (current) | 2019-10-16 | cif/ Adding structures of 7234647, 7234648, 7234649 via cif-deposit CGI script. |
7234647.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.