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Information card for entry 2000041
Preview
| Coordinates | 2000041.cif |
|---|---|
| Original IUCr paper | HTML |
| 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 Å |
| b | 20.5351 Å |
| c | 5.1682 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 927.169 Å3 |
| Cell 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 |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 1171 (current) | 2025-07-01 | cif/ Adding structures of 2000040, 2000041 via cif-deposit CGI script. |
2000041.cif |
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Users of the data should acknowledge the original authors of the
structural data.