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Information card for entry 2311348
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| Coordinates | 2311348.cif |
|---|---|
| Original IUCr paper | HTML |
| Common name | dirubidium hydrogen citrate |
|---|---|
| Chemical name | Dirubidium hydrogen citrate |
| Formula | C6 H6 O7 Rb2 |
| Calculated formula | C6 H6 O7 Rb2 |
| SMILES | C(=O)(CC(C(=O)[O-])(O)CC(=O)O)[O-].[Rb+].[Rb+] |
| Title of publication | Crystal structure of dirubidium hydrogen citrate from laboratory X-ray powder diffraction data and DFT comparison. |
| Authors of publication | Rammohan, Alagappa; Kaduk, James A. |
| Journal of publication | Acta crystallographica. Section E, Crystallographic communications |
| Year of publication | 2017 |
| Journal volume | 73 |
| Journal issue | Pt 1 |
| Pages of publication | 92 - 95 |
| a | 5.97796 ± 0.00017 Å |
| b | 15.096 ± 0.0004 Å |
| c | 5.32067 ± 0.00019 Å |
| α | 90° |
| β | 93.9341 ± 0.0013° |
| γ | 90° |
| Cell volume | 479.02 ± 0.03 Å3 |
| Cell temperature | 300 K |
| Ambient diffraction temperature | 300 K |
| Number of distinct elements | 4 |
| Space group number | 11 |
| Hermann-Mauguin space group symbol | P 1 21/m 1 |
| Hall space group symbol | -P 2yb |
| Goodness-of-fit parameter for all reflections | 1.82 |
| Method of determination | powder diffraction |
| Diffraction radiation wavelength | 1.54063 Å |
| Diffraction radiation type | Kα~1~ |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 245815 (current) | 2019-12-25 | cif/ Adding structures of 2311348, 2311349 via cif-deposit CGI script. |
2311348.cif |
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