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Information card for entry 2000040
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| Coordinates | 2000040.cif |
|---|---|
| Original IUCr paper | HTML |
| Common name | cesium dihydrogen citrate |
|---|---|
| Chemical name | cesium dihydrogen citrate |
| Formula | C6 H7 Cs O7 |
| Calculated formula | C6 H7 Cs O7 |
| Title of publication | Crystal structure of caesium dihydrogen 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 | 2 |
| Pages of publication | 133 - 136 |
| a | 8.7362 ± 0.0002 Å |
| b | 20.5351 ± 0.00016 Å |
| c | 5.1682 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 927.17 ± 0.09 Å3 |
| Cell temperature | 300 K |
| Ambient diffraction temperature | 300 K |
| Number of distinct elements | 4 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Goodness-of-fit parameter for all reflections | 3.43 |
| 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 |
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