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Information card for entry 2238532
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| Coordinates | 2238532.cif |
|---|---|
| Structure factors | 2238532.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | 2-Amino-6-methylpyridinium <i>trans</i>-diaquadioxalatochromate(III) monohydrate |
|---|---|
| Formula | C10 H15 Cr N2 O11 |
| Calculated formula | C10 H15 Cr N2 O11 |
| SMILES | [Cr]12([OH2])([OH2])(OC(=O)C(=O)O1)OC(=O)C(=O)O2.O.[nH+]1c(cccc1N)C |
| Title of publication | 2-Amino-6-methylpyridinium <i>trans</i>-diaquadioxalatochromate(III) monohydrate |
| Authors of publication | Dridi, Rihab; Namouchi Cherni, Saoussen; Zid, Mohamed Faouzi; Driss, Ahmed |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 9 |
| Pages of publication | m489 - m490 |
| a | 18.572 ± 0.003 Å |
| b | 11.025 ± 0.002 Å |
| c | 14.975 ± 0.003 Å |
| α | 90° |
| β | 96.28 ± 0.02° |
| γ | 90° |
| Cell volume | 3047.8 ± 1 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 | 0.0468 |
| Residual factor for significantly intense reflections | 0.0398 |
| Weighted residual factors for significantly intense reflections | 0.1071 |
| Weighted residual factors for all reflections included in the refinement | 0.1122 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.071 |
| 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. |
2238532.cif 2238532.hkl |
| 181307 | 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 2/23/85. |
2238532.cif 2238532.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. |
2238532.cif 2238532.hkl |
| 89416 | 2013-10-25 | cif/ (saulius@koala.ibt.lt) Adding links pointing to FOBS data to the recently deposited structures from IUCr. |
2238532.cif 2238532.hkl |
| 89414 | 2013-10-24 | cod/ (saulius@koala.ibt.lt) Adding FOBS data for the recently deposited IUCr structures. |
2238532.cif 2238532.hkl |
| 88671 | 2013-10-02 | cif/ Adding structures of 2238532 via cif-deposit CGI script. |
2238532.cif |
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Users of the data should acknowledge the original authors of the
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