Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4350816
Preview
| Coordinates | 4350816.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C12 H26 Cu N2 O2 S4 |
|---|---|
| Calculated formula | C12 H26 Cu N2 O2 S4 |
| Title of publication | The first crystallographically-characterised Cu(II) xanthate |
| Authors of publication | Johnson, Andrew L.; Hill, Michael S.; Kociok-Köhn, Gabriele; Molloy, Kieran C.; Sudlow, Anna L. |
| Journal of publication | Inorganic Chemistry Communications |
| Year of publication | 2014 |
| Journal volume | 49 |
| Pages of publication | 8 - 11 |
| a | 21.1341 ± 0.0003 Å |
| b | 8.0275 ± 0.0001 Å |
| c | 14.9706 ± 0.0002 Å |
| α | 90 ± 0.0008° |
| β | 133.318 ± 0.001° |
| γ | 90° |
| Cell volume | 1847.86 ± 0.05 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0304 |
| Residual factor for significantly intense reflections | 0.027 |
| Weighted residual factors for significantly intense reflections | 0.066 |
| Weighted residual factors for all reflections included in the refinement | 0.0679 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.119 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 272320 (current) | 2022-01-28 | cif/ Adding structures of 4350816 via cif-deposit CGI script. |
4350816.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.