Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2239479
Preview
| Coordinates | 2239479.cif |
|---|---|
| Structure factors | 2239479.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | Bis(2,6-dimethylanilinium) diaquabis(dihydrogen diphosphato-κ^2^<i>O</i>,<i>O</i>')cobaltate(II) |
|---|---|
| Formula | C16 H32 Co N2 O16 P4 |
| Calculated formula | C16 H32 Co N2 O16 P4 |
| SMILES | c1(c(cccc1C)C)[NH3+].O1P(=O)(O)OP(=O)(O[Co]21([OH2])(OP(=O)(O)OP(=O)(O2)O)[OH2])O.c1(c(cccc1C)C)[NH3+] |
| Title of publication | Bis(2,6-dimethylanilinium) diaquabis(dihydrogen diphosphato-κ^2^<i>O</i>,<i>O</i>')cobaltate(II) |
| Authors of publication | Saad, Ahlem Ben; Selmi, Ahmed; Rzaigui, Mohamed; Akriche, Samah Toumi |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 3 |
| Pages of publication | m86 - m87 |
| a | 7.32 ± 0.003 Å |
| b | 7.584 ± 0.004 Å |
| c | 13.413 ± 0.002 Å |
| α | 85.35 ± 0.03° |
| β | 75.56 ± 0.02° |
| γ | 74.42 ± 0.05° |
| Cell volume | 694.5 ± 0.5 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0761 |
| Residual factor for significantly intense reflections | 0.0606 |
| Weighted residual factors for significantly intense reflections | 0.1579 |
| Weighted residual factors for all reflections included in the refinement | 0.1682 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| Diffraction radiation wavelength | 0.56087 Å |
| Diffraction radiation type | AgKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301806 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/23 Each referenced PubChem compound corresponds to the full crystal structure. |
2239479.cif 2239479.hkl |
| 181894 | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/94. |
2239479.cif 2239479.hkl |
| 181313 | 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 2/23/94. |
2239479.cif 2239479.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. |
2239479.cif 2239479.hkl |
| 110762 | 2014-04-19 | cif/ hkl/ Adding structures of 2239479 via cif-deposit CGI script. |
2239479.cif 2239479.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.