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Information card for entry 3500039
Preview
| Coordinates | 3500039.cif |
|---|---|
| Structure factors | 3500039.hkl |
| Formula | C4 H5 Ca O6 |
|---|---|
| Calculated formula | C4 Ca O6 |
| SMILES | [O-]C(=O)[C@H](O)[C@@H](O)C(=O)[O-].[Ca+2] |
| Title of publication | Calcium tartrate anhydrous form I |
| Authors of publication | Armel Le Bail |
| Journal of publication | Personal communication to COD |
| Year of publication | 2016 |
| a | 6.86394 Å |
| b | 7.76619 Å |
| c | 12.06935 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 643.377 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor R(I) for significantly intense reflections | 10.2796 |
| Method of determination | powder diffraction |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | X-ray |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 183933 (current) | 2016-06-25 | cif/ hkl/ Adding structures of 3500039 via cif-deposit CGI script. |
3500039.cif 3500039.hkl |
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Users of the data should acknowledge the original authors of the
structural data.