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Information card for entry 2238730
Preview
| Coordinates | 2238730.cif |
|---|---|
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | Tetraquinolinium ditelluro(VI)octavanadate(V) octahydrate |
|---|---|
| Formula | C36 H48 N4 O36 Te2 V8 |
| Calculated formula | C36 H48 N4 O36 Te2 V8 |
| SMILES | c1ccc2c(c1)[nH+]ccc2.[nH+]1cccc2c1cccc2.O=[V]123O[Te]4567[O]8[V]9%10%11(=O)O[V]%12(O[V]%13%14%15(=O)[O]7[V]7%16([O]%15[Te]%15%17(O[V](O[V]8(O2)(=O)([O]47%15)[O]9%17)(O1)(=O)O%16)(O[V](O%12)(=O)(O%13)O%11)[O]5%10%14)(=O)O3)(=O)O6.O.O.O.O.c1ccc2ccc[nH+]c2c1.[nH+]1cccc2ccccc12.O.O.O.O |
| Title of publication | Tetraquinolinium ditelluro(VI)octavanadate(V) octahydrate |
| Authors of publication | Toumi, Sirine; Toumi, Samah Akriche; Rzaigui, Mohamed |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 11 |
| Pages of publication | m595 - m596 |
| a | 10.907 ± 0.003 Å |
| b | 11.302 ± 0.003 Å |
| c | 13.169 ± 0.002 Å |
| α | 106.45 ± 0.04° |
| β | 107.71 ± 0.04° |
| γ | 105.34 ± 0.04° |
| Cell volume | 1369.5 ± 1 Å3 |
| Cell temperature | 295 K |
| Ambient diffraction temperature | 295 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 | 0.2169 |
| Residual factor for significantly intense reflections | 0.115 |
| Weighted residual factors for significantly intense reflections | 0.2635 |
| Weighted residual factors for all reflections included in the refinement | 0.3079 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
| Diffraction radiation wavelength | 0.56087 Å |
| Diffraction radiation type | AgKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| 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. |
2238730.cif |
| 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. |
2238730.cif |
| 91138 | 2013-12-09 | cif/ Adding structures of 2238730 via cif-deposit CGI script. |
2238730.cif |
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