Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 8105795
Preview
| Coordinates | 8105795.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C5 H12 N Na O3 S2 |
|---|---|
| Calculated formula | C5 H12 N Na O3 S2 |
| Title of publication | Crystal structure of sodium morpholine-4-carbodithioate, (C5H12NNaO3S2) |
| Authors of publication | Solomane, Nolwazi; Ajibade, Peter A.; Omondi, Bernard |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2019 |
| Journal volume | 234 |
| Journal issue | 4 |
| Pages of publication | 605 - 607 |
| a | 28.8222 ± 0.0013 Å |
| b | 5.6782 ± 0.0003 Å |
| c | 12.381 ± 0.0006 Å |
| α | 90° |
| β | 102.074 ± 0.002° |
| γ | 90° |
| Cell volume | 1981.43 ± 0.17 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0283 |
| Residual factor for significantly intense reflections | 0.0269 |
| Weighted residual factors for significantly intense reflections | 0.0584 |
| Weighted residual factors for all reflections included in the refinement | 0.0591 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.208 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 277996 (current) | 2022-09-20 | cif/ Adding structures of 8105795 via cif-deposit CGI script. |
8105795.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.