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Information card for entry 2242822
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| Coordinates | 2242822.cif |
|---|---|
| Original IUCr paper | HTML |
| Common name | Sodium rubidium hydrogen citrate |
|---|---|
| Chemical name | Poly[(μ-hydrogen citrato)rubidiumsodium] |
| Formula | C6 H6 Na O7 Rb |
| Calculated formula | C6 H6 Na O7 Rb |
| Title of publication | Sodium rubidium hydrogen citrate, NaRbHC~6~H~5~O~7~, and sodium caesium hydrogen citrate, NaCsHC~6~H~5~O~7~: crystal structures and DFT comparisons |
| Authors of publication | Cigler, Andrew J.; Kaduk, James A. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2019 |
| Journal volume | 75 |
| Journal issue | 2 |
| Pages of publication | 223 - 227 |
| a | 5.9864 ± 0.0002 Å |
| b | 8.4104 ± 0.0003 Å |
| c | 10.2903 ± 0.0003 Å |
| α | 74.798 ± 0.003° |
| β | 76.756 ± 0.003° |
| γ | 72.878 ± 0.002° |
| Cell volume | 471.28 ± 0.03 Å3 |
| Cell temperature | 300 K |
| Ambient diffraction temperature | 300 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Goodness-of-fit parameter for all reflections | 1.74 |
| Method of determination | powder diffraction |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54059 Å |
| Diffraction radiation type | Kα~1~ |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 213223 (current) | 2019-01-19 | cif/ Adding structures of 2242822, 2242823, 2242824, 2242825 via cif-deposit CGI script. |
2242822.cif |
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