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Information card for entry 2020116
Preview
| Coordinates | 2020116.cif |
|---|---|
| Structure factors | 2020116.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | Bis(tetraethylammonium) dichloride dodecachlorohexasilane |
|---|---|
| Formula | C16 H40 Cl14 N2 Si6 |
| Calculated formula | C16 H40 Cl14 N2 Si6 |
| SMILES | C(C)[N+](CC)(CC)CC.[Cl-].[Si]1([Si]([Si](Cl)(Cl)[Si]([Si]([Si]1(Cl)Cl)(Cl)Cl)(Cl)Cl)(Cl)Cl)(Cl)Cl.C(C)[N+](CC)(CC)CC.[Cl-] |
| Title of publication | A structural study of Si~6~-ring-containing [Si~6~Cl~14~]^2{-^} chlorosilicates |
| Authors of publication | Tillmann, Jan; Lerner, Hans-Wolfram; Bolte, Michael |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 10 |
| a | 13.6864 ± 0.0005 Å |
| b | 20.6309 ± 0.0009 Å |
| c | 14.1328 ± 0.0008 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3990.6 ± 0.3 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 56 |
| Hermann-Mauguin space group symbol | P c c n |
| Hall space group symbol | -P 2ab 2ac |
| Residual factor for all reflections | 0.0597 |
| Residual factor for significantly intense reflections | 0.0375 |
| Weighted residual factors for significantly intense reflections | 0.0645 |
| Weighted residual factors for all reflections included in the refinement | 0.0702 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.016 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301801 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/02 Each referenced PubChem compound corresponds to the full crystal structure. |
2020116.cif 2020116.hkl |
| 181871 | 2016-04-06 | hkl/2/02/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/02/01 |
2020116.cif 2020116.hkl |
| 158198 | 2015-09-21 | cif/ hkl/ Adding structures of 2020116, 2020117, 2020118, 2020119 via cif-deposit CGI script. |
2020116.cif 2020116.hkl |
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Users of the data should acknowledge the original authors of the
structural data.