Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2239686
Preview
| Coordinates | 2239686.cif |
|---|---|
| Structure factors | 2239686.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis(4-aminopyridinium) dichromate(VI) |
|---|---|
| Formula | C10 H14 Cr2 N4 O7 |
| Calculated formula | C10 H14 Cr2 N4 O7 |
| SMILES | [Cr](=O)(=O)([O-])O[Cr](=O)(=O)[O-].[nH+]1ccc(cc1)N.[nH+]1ccc(cc1)N |
| Title of publication | Bis(4-aminopyridinium) dichromate(VI) |
| Authors of publication | Trabelsi, Sonia; Roisnel, Thierry; Dhaouadi, Hassouna; Marouani, Houda |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 7 |
| Pages of publication | m263 - m264 |
| a | 13.8505 ± 0.0004 Å |
| b | 16.2486 ± 0.0004 Å |
| c | 15.2586 ± 0.0004 Å |
| α | 90° |
| β | 118.923 ± 0.002° |
| γ | 90° |
| Cell volume | 3005.65 ± 0.15 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 5 |
| 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 | 0.0469 |
| Residual factor for significantly intense reflections | 0.0349 |
| Weighted residual factors for significantly intense reflections | 0.0914 |
| Weighted residual factors for all reflections included in the refinement | 0.0966 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.069 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181896 (current) | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/96. |
2239686.cif 2239686.hkl |
| 181315 | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/96. |
2239686.cif 2239686.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2239686.cif 2239686.hkl |
| 118123 | 2014-06-26 | cif/ hkl/ Adding structures of 2239686 via cif-deposit CGI script. |
2239686.cif 2239686.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.