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Information card for entry 2000000
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| Coordinates | 2000000.cif |
|---|---|
| Original IUCr paper | HTML |
| Common name | Dipotassium rubidium citrate monohydrate |
|---|---|
| Chemical name | Dipotassium rubidium citrate monohydrate |
| Formula | C6 H7 K2.108 O8 Rb0.892 |
| Calculated formula | C6 H7 K2.107 O8 Rb0.893 |
| Title of publication | Structures of dipotassium rubidium citrate monohydrate, K2RbC6H5O7(H2O), and potassium dirubidium citrate monohydrate, KRb2C6H5O7(H2O), from laboratory X-ray powder diffraction data and DFT calculations |
| Authors of publication | Cigler, Andrew J.; Kaduk, James A. |
| Journal of publication | Acta Crystallographica Section E Crystallographic Communications |
| Year of publication | 2020 |
| Journal volume | 76 |
| Journal issue | 10 |
| Pages of publication | 1566 - 1571 |
| a | 7.2407 ± 0.001 Å |
| b | 11.8145 ± 0.0003 Å |
| c | 13.062 ± 0.002 Å |
| α | 90° |
| β | 98.334 ± 0.007° |
| γ | 90° |
| Cell volume | 1105.6 ± 0.2 Å3 |
| Cell temperature | 300 K |
| Ambient diffraction temperature | 300 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Weighted residual factors for significantly intense reflections | 0.03327 |
| Goodness-of-fit parameter for all reflections | 1.884 |
| Method of determination | powder diffraction |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.70932 Å |
| Diffraction radiation type | Kα~1,2~ |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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