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Information card for entry 3000225
Preview
| Coordinates | 3000225.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | potassium chlorate(V) |
|---|---|
| Formula | Cl K O3 |
| Calculated formula | Cl K O3 |
| Title of publication | On Potassiumchlorate, K Cl O3, Rubidiumchlorate, Rb Cl O3, and Cesiumchlorat, Cs Cl O3 . I. Crystal structure of twinned K Cl O3 at 415 K |
| Authors of publication | Reiner, G.; Wartchow, R. |
| Journal of publication | Institutionelles Repositorium der Leibniz Universitaet Hannover |
| Year of publication | 2019 |
| a | 4.684 ± 0.001 Å |
| b | 5.614 ± 0.001 Å |
| c | 13.528 ± 0.003 Å |
| α | 90° |
| β | 90 ± 0.02° |
| γ | 90° |
| Cell volume | 355.73 ± 0.13 Å3 |
| Cell temperature | 415 ± 5 K |
| Ambient diffraction temperature | 415 ± 5 K |
| Number of distinct elements | 3 |
| Space group number | 11 |
| Hermann-Mauguin space group symbol | B 1 21/m 1 |
| Hall space group symbol | -P 2yb (1/2*x,y,-1/2*x+z) |
| Residual factor for all reflections | 0.0342 |
| Residual factor for significantly intense reflections | 0.0329 |
| Weighted residual factors for significantly intense reflections | 0.0733 |
| Weighted residual factors for all reflections included in the refinement | 0.0754 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.098 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301810 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 3/ Each referenced PubChem compound corresponds to the full crystal structure. |
3000225.cif |
| 214825 | 2019-04-29 | cif/ Updating files of 3000225 Original log message: Releasing structure 3000225 into public domain as published material per request from Rudolf Wartchow. |
3000225.cif |
| 214342 | 2019-03-26 | cif/ Adding structures of 3000225 via cif-deposit CGI script. |
3000225.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.