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Information card for entry 2203237
Preview
| Coordinates | 2203237.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | Calcium potassium cyclo-triphosphate |
|---|---|
| Formula | Ca K O9 P3 |
| Calculated formula | Ca K O9 P3 |
| SMILES | [Ca+2].[K+].P1(=O)(OP(=O)(OP(=O)(O1)[O-])[O-])[O-] |
| Title of publication | Calcium potassium cyclo-triphosphate |
| Authors of publication | Malin Sandström; Dan Boström |
| Journal of publication | Acta Crystallographica, Section E |
| Year of publication | 2004 |
| Journal volume | 60 |
| Journal issue | 2 |
| Pages of publication | i15 - i17 |
| a | 6.809 ± 0.0003 Å |
| b | 6.809 ± 0.0003 Å |
| c | 10.376 ± 0.0009 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 416.61 ± 0.04 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 188 |
| Hermann-Mauguin space group symbol | P -6 c 2 |
| Hall space group symbol | P -6c 2 |
| Residual factor for all reflections | 0.0248 |
| Residual factor for significantly intense reflections | 0.024 |
| Weighted residual factors for significantly intense reflections | 0.0556 |
| Weighted residual factors for all reflections included in the refinement | 0.056 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.182 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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