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Information card for entry 2241732
Preview
| Coordinates | 2241732.cif |
|---|---|
| Structure factors | 2241732.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | Bis[4-(dimethylamino)pyridinium] aquabis(oxalato)oxidovanadate(IV) dihydrate |
|---|---|
| Formula | C18 H28 N4 O12 V |
| Calculated formula | C18 H28 N4 O12 V |
| SMILES | CN(C)c1cc[nH+]cc1.O1[V]2([OH2])(OC(=O)C1=O)(OC(=O)C(=O)O2)=O.O.CN(C)c1cc[nH+]cc1.O |
| Title of publication | Crystal structure of bis[4-(dimethylamino)pyridinium] aquabis(oxalato)oxidovanadate(IV) dihydrate |
| Authors of publication | Sehimi, Hiba; Chérif, Ichraf; Zid, Mohamed Faouzi |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2016 |
| Journal volume | 72 |
| Journal issue | 7 |
| Pages of publication | 1002 - 1005 |
| a | 14.682 ± 0.002 Å |
| b | 7.689 ± 0.004 Å |
| c | 21.28 ± 0.003 Å |
| α | 90° |
| β | 97.197 ± 0.01° |
| γ | 90° |
| Cell volume | 2383.4 ± 1.3 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0683 |
| Residual factor for significantly intense reflections | 0.038 |
| Weighted residual factors for significantly intense reflections | 0.094 |
| Weighted residual factors for all reflections included in the refinement | 0.1064 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.013 |
| 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. |
2241732.cif 2241732.hkl |
| 183844 | 2016-06-23 | cif/ hkl/ Adding structures of 2241732 via cif-deposit CGI script. |
2241732.cif 2241732.hkl |
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Users of the data should acknowledge the original authors of the
structural data.