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Information card for entry 2311995
Preview
| Coordinates | 2311995.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | lithium sodium hydrogen citrate |
|---|---|
| Chemical name | lithium sodium hydrogen citrate |
| Formula | C6 H6 Li Na O7 |
| Calculated formula | C6 H6 Li Na O7 |
| SMILES | C(=O)(CC(O)(CC(=O)[O-])C(=O)[O-])O.[Li+].[Na+] |
| Title of publication | Dilithium (citrate) crystals and their relatives. |
| Authors of publication | Cigler, Andrew J.; Kaduk, James A. |
| Journal of publication | Acta crystallographica. Section C, Structural chemistry |
| Year of publication | 2018 |
| Journal volume | 74 |
| Journal issue | Pt 10 |
| Pages of publication | 1160 - 1170 |
| a | 6.5811 ± 0.0004 Å |
| b | 6.357 ± 0.0004 Å |
| c | 9.9389 ± 0.0005 Å |
| α | 91.762 ± 0.005° |
| β | 104.388 ± 0.005° |
| γ | 97.438 ± 0.004° |
| Cell volume | 398.52 ± 0.04 Å3 |
| Cell temperature | 300 K |
| Ambient diffraction temperature | 300 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| RFsqd | 0.14161 |
| Goodness-of-fit parameter for all reflections | 2.05 |
| 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 |
|---|---|---|---|
| 246235 (current) | 2019-12-27 | cif/ Adding structures of 2311995 via cif-deposit CGI script. |
2311995.cif |
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