Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2238693
Preview
| Coordinates | 2238693.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | Poly[tetramethylammonium [tri-μ~2~-formato-κ^6^<i>O</i>:<i>O</i>'-manganate(II)]] |
|---|---|
| Formula | C7 H15 Mn N O6 |
| Calculated formula | C7 H15 Mn N O6 |
| SMILES | [Mn+2].[N+](C)(C)(C)C.C(=O)[O-].C(=O)[O-].C(=O)[O-] |
| Title of publication | Poly[tetramethylammonium [tri-μ~2~-formato-κ^6^<i>O</i>:<i>O</i>'-manganate(II)]] |
| Authors of publication | Han, Cai-Yun; Liu, Min-Min; Dang, Qin-Qin |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 10 |
| Pages of publication | m541 |
| a | 8.926 ± 0.004 Å |
| b | 12.767 ± 0.006 Å |
| c | 9.196 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1048 ± 0.8 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 62 |
| Hermann-Mauguin space group symbol | P n m a |
| Hall space group symbol | -P 2ac 2n |
| Residual factor for all reflections | 0.0317 |
| Residual factor for significantly intense reflections | 0.0265 |
| Weighted residual factors for significantly intense reflections | 0.0691 |
| Weighted residual factors for all reflections included in the refinement | 0.0747 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.981 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2238693.html
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.