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Information card for entry 4501376
Preview
| Coordinates | 4501376.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | piracetam2 SrCl2 (H2O)2 |
|---|---|
| Formula | C12 H24 Cl2 N4 O6 Sr |
| Calculated formula | C12 H24 Cl2 N4 O6 Sr |
| SMILES | C1(=O)CCCN1CC(=O)N.O.[Cl-].[Sr+2].C1(=O)CCCN1CC(=O)N.O.[Cl-] |
| Title of publication | Ionic Co-crystals of Organic Molecules with Metal Halides: A New Prospect in the Solid Formulation of Active Pharmaceutical Ingredients |
| Authors of publication | Braga, Dario; Grepioni, Fabrizia; Lampronti, Giulio I.; Maini, Lucia; Turrina, Alessandro |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2011 |
| Journal volume | 11 |
| Journal issue | 12 |
| Pages of publication | 5621 |
| a | 8.9444 ± 0.0005 Å |
| b | 9.8519 ± 0.0004 Å |
| c | 11.8823 ± 0.0007 Å |
| α | 90° |
| β | 106.52 ± 0.007° |
| γ | 90° |
| Cell volume | 1003.84 ± 0.1 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0687 |
| Residual factor for significantly intense reflections | 0.0377 |
| Weighted residual factors for significantly intense reflections | 0.0691 |
| Weighted residual factors for all reflections included in the refinement | 0.075 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.933 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301842 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/50/ Each referenced PubChem compound corresponds to the full crystal structure. |
4501376.cif |
| 179544 | 2016-03-24 | cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/13. |
4501376.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4501376.cif |
| 34881 | 2012-02-26 | ../uploads/cif-deposit/cod/cif Adding structures of 4501370, 4501371, 4501372, 4501373, 4501374, 4501375, 4501376 via cif-deposit CGI script. |
4501376.cif |
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