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Information card for entry 2312626
Preview
| Coordinates | 2312626.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | Thiophosgene |
|---|---|
| Formula | C Cl2 S |
| Calculated formula | C Cl2.0001 S0.9999 |
| 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 | 6.0132 ± 0.0006 Å |
| b | 6.0132 ± 0.0006 Å |
| c | 6.513 ± 0.0009 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 203.95 ± 0.04 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 3 |
| Space group number | 176 |
| Hermann-Mauguin space group symbol | P 63/m |
| Hall space group symbol | -P 6c |
| Residual factor for all reflections | 0.0595 |
| Residual factor for significantly intense reflections | 0.0564 |
| Weighted residual factors for significantly intense reflections | 0.1343 |
| Weighted residual factors for all reflections included in the refinement | 0.1414 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.191 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54186 Å |
| Diffraction radiation type | CuKα |
| Diffraction radiation X-ray symbol | K-L~2,3~ |
| 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. |
2312626.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. |
2312626.cif |
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Users of the data should acknowledge the original authors of the
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