Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2241946
Preview
| Coordinates | 2241946.cif |
|---|---|
| Structure factors | 2241946.hkl |
| Original IUCr paper | HTML |
| Chemical name | Hexakis(dimethyl sulfoxide-κ<i>O</i>)manganese(II) tetraiodide |
|---|---|
| Formula | C12 H36 I4 Mn O6 S6 |
| Calculated formula | C12 H36 I4 Mn O6 S6 |
| SMILES | CS(C)=[O][Mn]([O]=S(C)C)([O]=S(C)C)([O]=S(C)C)([O]=S(C)C)[O]=S(C)C.II.[I-].[I-] |
| Title of publication | Crystal structure of hexakis(dimethyl sulfoxide-κ<i>O</i>)manganese(II) tetraiodide |
| Authors of publication | Haque, Md Azimul; Davaasuren, Bambar; Rothenberger, Alexander; Wu, Tom |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2016 |
| Journal volume | 72 |
| Journal issue | 12 |
| Pages of publication | 1791 - 1793 |
| a | 11.8702 ± 0.001 Å |
| b | 11.8702 ± 0.001 Å |
| c | 19.386 ± 0.0018 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 2365.6 ± 0.4 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 148 |
| Hermann-Mauguin space group symbol | R -3 :H |
| Hall space group symbol | -R 3 |
| Residual factor for all reflections | 0.0198 |
| Residual factor for significantly intense reflections | 0.0172 |
| Weighted residual factors for significantly intense reflections | 0.0374 |
| Weighted residual factors for all reflections included in the refinement | 0.0384 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.064 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 188491 (current) | 2016-11-16 | cif/ hkl/ Adding structures of 2241946 via cif-deposit CGI script. |
2241946.cif 2241946.hkl |
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.