Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7041826
Preview
| Coordinates | 7041826.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C4 H12 F12 Mn N2 O14 S4 |
|---|---|
| Calculated formula | C4 H12 F12 Mn N2 O14 S4 |
| SMILES | C(F)(F)(F)S(=O)(=O)N=S([O-])(=O)C(F)(F)F.[Mn]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].C(F)(F)(F)S(=O)(=O)N=S([O-])(=O)C(F)(F)F |
| Title of publication | Manganese-containing ionic liquids: synthesis, crystal structures and electrodeposition of manganese films and nanoparticles. |
| Authors of publication | Sniekers, Jeroen; Malaquias, João C; Van Meervelt, Luc; Fransaer, Jan; Binnemans, Koen |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2017 |
| Journal volume | 46 |
| Journal issue | 8 |
| Pages of publication | 2497 - 2509 |
| a | 10.4969 ± 0.0004 Å |
| b | 23.2549 ± 0.0014 Å |
| c | 10.2815 ± 0.0004 Å |
| α | 90° |
| β | 90.464 ± 0.004° |
| γ | 90° |
| Cell volume | 2509.7 ± 0.2 Å3 |
| Cell temperature | 100.01 ± 0.1 K |
| Ambient diffraction temperature | 100.01 ± 0.1 K |
| Number of distinct elements | 7 |
| 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 | 0.0404 |
| Residual factor for significantly intense reflections | 0.0369 |
| Weighted residual factors for significantly intense reflections | 0.0747 |
| Weighted residual factors for all reflections included in the refinement | 0.0762 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.204 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301850 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/04/ Each referenced PubChem compound corresponds to the full crystal structure. |
7041826.cif |
| 193782 | 2017-03-05 | cif/ Updating files of 7041822, 7041823, 7041824, 7041825, 7041826, 7041827, 7041828 Original log message: Adding full bibliography for 7041822--7041828.cif. |
7041826.cif |
| 190899 | 2017-01-25 | cif/ Adding structures of 7041822, 7041823, 7041824, 7041825, 7041826, 7041827, 7041828 via cif-deposit CGI script. |
7041826.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.