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Information card for entry 2000010
Preview
| Coordinates | 2000010.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | Calcium hydrogen citrate trihydrate |
|---|---|
| Formula | C6 H12 Ca O10 |
| Calculated formula | C6 H12 Ca O10 |
| Title of publication | Crystal structure of aqua(citric acid)(hydrogen citrato)calcium monohydrate, [Ca(HC6H5O7)(H3C6H5O7)(H2O)]·H2O, from synchrotron X-ray powder data, and DFT-optimized crystal structure of existing calcium hydrogen citrate trihydrate, [Ca(HC6H5O7)(H2O)3] |
| Authors of publication | 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 | 1689 - 1693 |
| a | 8.7955 Å |
| b | 5.5891 Å |
| c | 23.8176 Å |
| α | 90° |
| β | 116.77° |
| γ | 90° |
| Cell volume | 1045.36 Å3 |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 1101 (current) | 2025-07-01 | cif/ Adding structures of 2000008, 2000009, 2000010 via cif-deposit CGI script. |
2000010.cif |
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Users of the data should acknowledge the original authors of the
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