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Information card for entry 2000009
Preview
| Coordinates | 2000009.cif |
|---|---|
| Original IUCr paper | HTML |
| Formula | C12 H18 Ca O16 |
|---|---|
| Calculated formula | C12 H18 Ca O16 |
| 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 | 8.3726 Å |
| b | 10.9031 Å |
| c | 11.0629 Å |
| α | 105.203° |
| β | 100.685° |
| γ | 110.71° |
| Cell volume | 867.234 Å3 |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| 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. |
2000009.cif |
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Users of the data should acknowledge the original authors of the
structural data.