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Information card for entry 1519983
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| Coordinates | 1519983.cif |
|---|---|
| External links | PubChem |
| Chemical name | Tetraethylammonium hemitetramethylethylendiammonium ditartrate bromide hydrate |
|---|---|
| Formula | C19 H42 Br N2 O13 |
| Calculated formula | C19 H42 Br N2 O13 |
| Title of publication | Tetraethylammonium hemitetramethylethylendiammonium ditartrate bromide hydrate |
| Authors of publication | Callear, Samantha K.; Threlfall, Terence L.; Hursthouse, Michael B. |
| Journal of publication | Crystal Structure Report Archive |
| Year of publication | 2008 |
| Pages of publication | 558 |
| a | 7.8263 ± 0.0015 Å |
| b | 9.6552 ± 0.0019 Å |
| c | 17.8962 ± 0.0016 Å |
| α | 101.635 ± 0.01° |
| β | 94.082 ± 0.011° |
| γ | 92.688 ± 0.011° |
| Cell volume | 1318.6 ± 0.4 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0672 |
| Residual factor for significantly intense reflections | 0.0456 |
| Weighted residual factors for significantly intense reflections | 0.1026 |
| Weighted residual factors for all reflections included in the refinement | 0.1123 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301776 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/51 Each referenced PubChem compound corresponds to the full crystal structure. |
1519983.cif |
| 176428 | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
1519983.cif |
| 137367 | 2015-05-26 | cif/ Adding structures of 1519983 via cif-deposit CGI script. |
1519983.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.