Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2312629
Preview
| Coordinates | 2312629.cif |
|---|---|
| Original IUCr paper | HTML |
| Common name | thiophosgene |
|---|---|
| Chemical name | carbonothioyl dichloride |
| Formula | C Cl2 S |
| Calculated formula | C Cl2.00001 S0.99999 |
| Title of publication | A comprehensive characterization of thiophosgene in the solid state |
| Authors of publication | Tambornino, Frank; Ringelband, Sven; Parker, Stewart F.; Howard, Christopher M.; Fortes, Dominic |
| Journal of publication | Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials |
| Year of publication | 2024 |
| Journal volume | 80 |
| Journal issue | 5 |
| Pages of publication | 495 - 503 |
| a | 5.94993 ± 0.00002 Å |
| b | 5.94993 Å |
| c | 6.248669 ± 0.000027 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 191.576 ± 0.001 Å3 |
| Cell temperature | 40 K |
| Ambient diffraction temperature | 40 K |
| Number of distinct elements | 3 |
| Space group number | 176 |
| Hermann-Mauguin space group symbol | P 63/m |
| Hall space group symbol | -P 6c |
| RFsqd | 0.06339 |
| Goodness-of-fit parameter for all reflections | 0.99 |
| Method of determination | powder diffraction |
| Diffraction radiation probe | neutron |
| Diffraction radiation type | white-beam |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 296749 (current) | 2024-12-07 | cif/ Updating files of 2312626, 2312627, 2312628, 2312629, 2312630, 2312631, 2312632, 2312633, 2312634, 2312635, 2312636, 2312637, 2312638, 2312639, 2312640, 2312641, 2312642, 2312643, 2312644, 2312645, 2312646, 2312647, 2312648 Original log message: Adding full bibliography for 2312626--2312648.cif. |
2312629.cif |
| 294895 | 2024-09-26 | cif/ Adding structures of 2312626, 2312627, 2312628, 2312629, 2312630, 2312631, 2312632, 2312633, 2312634, 2312635, 2312636, 2312637, 2312638, 2312639, 2312640, 2312641, 2312642, 2312643, 2312644, 2312645, 2312646, 2312647, 2312648 via cif-deposit CGI script. |
2312629.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.