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Information card for entry 2242923
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| Coordinates | 2242923.cif |
|---|---|
| Structure factors | 2242923.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Common name | Potassium chloridotris(hypersiloxy)aluminate dimer |
|---|---|
| Chemical name | Di-μ~3~-chlorido-bis[μ~2~-tris(trimethylsilyl)silanolato]tetrakis[tris(trimethylsilyl)silanolato]dialuminiumdipotassium |
| Formula | C54 H162 Al2 Cl2 K2 O6 Si24 |
| Calculated formula | C54 H162 Al2 Cl2 K2 O6 Si24 |
| SMILES | [K]12[O]([Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)[Al](O[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)(O[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)[Cl]1[K]1[O]([Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)[Al](O[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)(O[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)[Cl]12 |
| Title of publication | Potassium chloridotris(hypersiloxy)aluminate dimer |
| Authors of publication | Purdy, Andrew P.; Butcher, Raymond J. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2019 |
| Journal volume | 75 |
| Journal issue | 6 |
| Pages of publication | 714 - 716 |
| a | 18.8247 ± 0.0003 Å |
| b | 13.885 ± 0.0002 Å |
| c | 22.2056 ± 0.0004 Å |
| α | 90° |
| β | 109.413 ± 0.002° |
| γ | 90° |
| Cell volume | 5474.14 ± 0.17 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0521 |
| Residual factor for significantly intense reflections | 0.0418 |
| Weighted residual factors for significantly intense reflections | 0.1075 |
| Weighted residual factors for all reflections included in the refinement | 0.1168 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301807 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/24 Each referenced PubChem compound corresponds to the full crystal structure. |
2242923.cif 2242923.hkl |
| 214936 | 2019-05-04 | cif/ hkl/ Adding structures of 2242923 via cif-deposit CGI script. |
2242923.cif 2242923.hkl |
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Users of the data should acknowledge the original authors of the
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