Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2241632
Preview
| Coordinates | 2241632.cif |
|---|---|
| Structure factors | 2241632.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | 1,4-Bis(3-ammoniopropyl)piperazine-1,4-diium bis[dichromate(VI)] |
|---|---|
| Formula | C10 H28 Cr4 N4 O14 |
| Calculated formula | C10 H28 Cr4 N4 O14 |
| SMILES | C1[NH+](CCC[NH3+])CC[NH+](C1)CCC[NH3+].[O-][Cr](=O)(=O)O[Cr](=O)(=O)[O-].[O-][Cr](=O)(=O)O[Cr](=O)(=O)[O-] |
| Title of publication | Crystal structure of 1,4-bis(3-ammoniopropyl)piperazine-1,4-diium bis[dichromate(VI)] |
| Authors of publication | Vetrivel, S.; Vinoth, E.; Mullai, R. U.; Aruljothi, R.; NizamMohideen, M. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2016 |
| Journal volume | 72 |
| Journal issue | 5 |
| Pages of publication | 616 - 619 |
| a | 8.5361 ± 0.0003 Å |
| b | 8.6272 ± 0.0003 Å |
| c | 8.8576 ± 0.0003 Å |
| α | 77.761 ± 0.001° |
| β | 72.307 ± 0.001° |
| γ | 60.985 ± 0.001° |
| Cell volume | 541.81 ± 0.03 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0238 |
| Residual factor for significantly intense reflections | 0.023 |
| Weighted residual factors for significantly intense reflections | 0.0675 |
| Weighted residual factors for all reflections included in the refinement | 0.0682 |
| 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 |
|---|---|---|---|
| 301807 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/24 Each referenced PubChem compound corresponds to the full crystal structure. |
2241632.cif 2241632.hkl |
| 181917 | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/16. |
2241632.cif 2241632.hkl |
| 181819 | 2016-04-06 | cif/ hkl/ Adding structures of 2241632 via cif-deposit CGI script. |
2241632.cif 2241632.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.