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Information card for entry 2242573
Preview
| Coordinates | 2242573.cif |
|---|---|
| Structure factors | 2242573.hkl |
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | 2-Bromo-1,1,1,3,3,3-hexamethyl-2-(trimethylsilyl)trisilane |
|---|---|
| Formula | C9 H27 Br Si4 |
| Calculated formula | C9 H27 Br Si4 |
| SMILES | Br[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C |
| Title of publication | Crystal structures of 2-bromo-1,1,1,3,3,3-hexamethyl-2-(trimethylsilyl)trisilane and 2-bromo-1,1,1,3,3,3-hexaisopropyl-2-(triisopropylsilyl)trisilane |
| Authors of publication | Gulotty, Eva M.; Staples, Richard J.; Biros, Shannon M.; Gaspar, Peter P.; Rath, Nigam P.; Winchester, William R. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2018 |
| Journal volume | 74 |
| Journal issue | 8 |
| Pages of publication | 1142 - 1146 |
| a | 15.6497 ± 0.0019 Å |
| b | 15.6497 ± 0.0019 Å |
| c | 15.6497 ± 0.0019 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3832.8 ± 0.8 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173.15 K |
| Number of distinct elements | 4 |
| Space group number | 205 |
| Hermann-Mauguin space group symbol | P a -3 |
| Hall space group symbol | -P 2ac 2ab 3 |
| Residual factor for all reflections | 0.0405 |
| Residual factor for significantly intense reflections | 0.0284 |
| Weighted residual factors for significantly intense reflections | 0.0683 |
| Weighted residual factors for all reflections included in the refinement | 0.0748 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| 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. |
2242573.cif 2242573.hkl |
| 209237 | 2018-07-24 | cif/ hkl/ Adding structures of 2242573, 2242574 via cif-deposit CGI script. |
2242573.cif 2242573.hkl |
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Users of the data should acknowledge the original authors of the
structural data.