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Information card for entry 2243247
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| Coordinates | 2243247.cif |
|---|---|
| Structure factors | 2243247.hkl |
| Original IUCr paper | HTML |
| Chemical name | Potassium phosphate heptahydrate |
|---|---|
| Formula | D14 K3 O11 P |
| Calculated formula | D14 K3 O11 P |
| Title of publication | Crystal structure of the deuterated heptahydrate of potassium phosphate, K~3~PO~4~·7D~2~O |
| Authors of publication | Weil, Matthias; Stöger, Berthold |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2020 |
| Journal volume | 76 |
| Journal issue | 2 |
| Pages of publication | 177 - 179 |
| a | 7.8325 ± 0.0007 Å |
| b | 9.3406 ± 0.0008 Å |
| c | 8.4471 ± 0.0007 Å |
| α | 90° |
| β | 108.727 ± 0.002° |
| γ | 90° |
| Cell volume | 585.27 ± 0.09 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0167 |
| Residual factor for significantly intense reflections | 0.0156 |
| Weighted residual factors for significantly intense reflections | 0.0198 |
| Weighted residual factors for all reflections included in the refinement | 0.0201 |
| Goodness-of-fit parameter for significantly intense reflections | 1.03 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 246742 (current) | 2020-01-11 | cif/ hkl/ Adding structures of 2243247 via cif-deposit CGI script. |
2243247.cif 2243247.hkl |
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