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Information card for entry 1564544
Preview
| Coordinates | 1564544.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C4 H4 B K O12 |
|---|---|
| Calculated formula | C4 H4 B K O12 |
| SMILES | [B]12(OC(=O)OC(=O)O1)OC(=O)OC(=O)O2.[K+].O.O |
| Title of publication | Unprecedented Formation of Potassium Borate Based Carbonate from Chloral Hydrate, Potassium Carbonate and Boric Acid |
| Authors of publication | TOMBUL, Mustafa; TÜRKMENOGLU, Elmas; SAHIN, Onur |
| Journal of publication | X-ray Structure Analysis Online |
| Year of publication | 2021 |
| Journal volume | 37 |
| Journal issue | 0 |
| Pages of publication | 45 - 47 |
| a | 11.0579 ± 0.001 Å |
| b | 11.1695 ± 0.001 Å |
| c | 9.0504 ± 0.0009 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1117.83 ± 0.18 Å3 |
| Cell temperature | 296 K |
| Ambient diffraction temperature | 296 K |
| Number of distinct elements | 5 |
| Space group number | 41 |
| Hermann-Mauguin space group symbol | A e a 2 |
| Hall space group symbol | A 2 -2ab |
| Residual factor for all reflections | 0.0598 |
| Residual factor for significantly intense reflections | 0.0577 |
| Weighted residual factors for significantly intense reflections | 0.1672 |
| Weighted residual factors for all reflections included in the refinement | 0.1686 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.062 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 268973 (current) | 2021-09-06 | cif/ Adding structures of 1564544 via cif-deposit CGI script. |
1564544.cif |
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Users of the data should acknowledge the original authors of the
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