Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2241397
Preview
| Coordinates | 2241397.cif |
|---|---|
| Structure factors | 2241397.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | Tetrakis(3,5-dimethylpyrazolium) β-octamolybdate tetrahydrate |
|---|---|
| Formula | C20 H44 Mo8 N8 O30 |
| Calculated formula | C20 H40 Mo8 N8 O30 |
| Title of publication | Redetermination of the crystal structure of 3,5-dimethylpyrazolium β-octamolybdate tetrahydrate |
| Authors of publication | Amarante, Tatiana R.; Gonçalves, Isabel S.; Almeida Paz, Filipe A. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 12 |
| Pages of publication | m244 - m245 |
| a | 10.1105 ± 0.0009 Å |
| b | 10.7469 ± 0.0009 Å |
| c | 11.9839 ± 0.001 Å |
| α | 64.103 ± 0.003° |
| β | 84.272 ± 0.003° |
| γ | 75.826 ± 0.003° |
| Cell volume | 1135.67 ± 0.17 Å3 |
| Cell temperature | 180 ± 2 K |
| Ambient diffraction temperature | 180 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.044 |
| Residual factor for significantly intense reflections | 0.0257 |
| Weighted residual factors for significantly intense reflections | 0.0503 |
| Weighted residual factors for all reflections included in the refinement | 0.056 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.062 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181914 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/13. |
2241397.cif 2241397.hkl |
| 171479 | 2015-12-13 | cif/ hkl/ Adding structures of 2241397 via cif-deposit CGI script. |
2241397.cif 2241397.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.