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Information card for entry 2242861
Preview
| Coordinates | 2242861.cif |
|---|---|
| Original IUCr paper | HTML |
| Common name | dilithium potassium citrate |
|---|---|
| Chemical name | dilithium potassium citrate |
| Formula | C6 H5 K Li2 O7 |
| Calculated formula | C6 H5 K Li2 O7 |
| SMILES | C(=O)(CC(CC(=O)[O-])(C(=O)[O-])O)[O-].[K+].[Li+].[Li+] |
| Title of publication | Crystal structure of dilithium potassium citrate, Li~2~KC~6~H~5~O~7~ determined from powder diffraction data and DFT calculations |
| Authors of publication | Cigler, Andrew J.; Kaduk, James A. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2019 |
| Journal volume | 75 |
| Journal issue | 3 |
| Pages of publication | 410 - 413 |
| a | 6.4842 ± 0.0003 Å |
| b | 6.6833 ± 0.0003 Å |
| c | 9.8171 ± 0.0004 Å |
| α | 87.637 ± 0.004° |
| β | 80.606 ± 0.004° |
| γ | 83.109 ± 0.004° |
| Cell volume | 416.59 ± 0.03 Å3 |
| Cell temperature | 302 K |
| Ambient diffraction temperature | 302 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Goodness-of-fit parameter for all reflections | 1.65 |
| Method of determination | powder diffraction |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.709237 Å |
| Diffraction radiation type | Kα~1~ |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 213917 (current) | 2019-03-01 | cif/ Adding structures of 2242861, 2242862 via cif-deposit CGI script. |
2242861.cif |
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