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Information card for entry 2238062
Preview
| Coordinates | 2238062.cif |
|---|---|
| Structure factors | 2238062.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | Bis[μ-2,5-bis(pyridin-2-yl)-1,3,4-thiadiazole-κ^4^<i>N</i>^2^,<i>N</i>^3^:<i>N</i>^4^,<i>N</i>^5^]bis[(nitrato-κ<i>O</i>)silver(I)] tetrahydrate |
|---|---|
| Formula | C24 H24 Ag2 N10 O10 S2 |
| Calculated formula | C24 H24 Ag2 N10 O10 S2 |
| SMILES | c1cc2c3[n]4[Ag]5([n]2cc1)[n]1c(c2cccc[n]52)sc2c5cccc[n]5[Ag]5([n]12)[n]4c(c1cccc[n]51)s3.O=N(=O)[O-].O.O.N(=O)(=O)[O-].O.O |
| Title of publication | Bis[μ-2,5-bis(pyridin-2-yl)-1,3,4-thiadiazole-κ^4^<i>N</i>^2^,<i>N</i>^3^:<i>N</i>^4^,<i>N</i>^5^]bis[(nitrato-κ<i>O</i>)silver(I)] tetrahydrate |
| Authors of publication | Laachir, Abdelhakim; Bentiss, Fouad; Guesmi, Salaheddine; Saadi, Mohamed; El Ammari, Lahcen |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 6 |
| Pages of publication | m351 - m352 |
| a | 5.4251 ± 0.0001 Å |
| b | 10.6894 ± 0.0003 Å |
| c | 14.5865 ± 0.0003 Å |
| α | 108.91 ± 0.001° |
| β | 91.447 ± 0.001° |
| γ | 102.44 ± 0.001° |
| Cell volume | 777.3 ± 0.03 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 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 | 0.0549 |
| Residual factor for significantly intense reflections | 0.0343 |
| Weighted residual factors for significantly intense reflections | 0.0795 |
| Weighted residual factors for all reflections included in the refinement | 0.0895 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.012 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| 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. |
2238062.cif 2238062.hkl |
| 181302 | 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 2/23/80. |
2238062.cif 2238062.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. |
2238062.cif 2238062.hkl |
| 88055 | 2013-08-28 | cod/cif/ (saulius@koala.ibt.lt) Adding the _cod_database_fobs_code links for those COD CIFs that have their Fobs deposited recently. |
2238062.cif 2238062.hkl |
| 88054 | 2013-08-28 | cod/hkl/ (saulius@koala.ibt.lt) Adding Fobs files for the recently deposited IUCr coordinate data. |
2238062.cif 2238062.hkl |
| 86772 | 2013-07-11 | cif/ Adding structures of 2238062 via cif-deposit CGI script. |
2238062.cif |
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Users of the data should acknowledge the original authors of the
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