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Information card for entry 2311532
Preview
| Coordinates | 2311532.cif |
|---|---|
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | Bis(tetra-<i>n</i>-butylammonium) dichloride decachlorocyclopentasilane dichloromethane disolvate |
|---|---|
| Formula | C34 H76 Cl16 N2 Si5 |
| Calculated formula | C34 H76 Cl16 N2 Si5 |
| SMILES | C(CCC)[N+](CCCC)(CCCC)CCCC.C(Cl)Cl.[Cl-].Cl[Si]1([Si](Cl)(Cl)[Si](Cl)(Cl)[Si]([Si]1(Cl)Cl)(Cl)Cl)Cl.ClCCl.[Cl-].CCCC[N+](CCCC)(CCCC)CCCC |
| Title of publication | Deca-chloro-cyclo-penta-silanes coordinated by pairs of chloride anions, with different cations, but the same solvent mol-ecules. |
| Authors of publication | Moxter, Maximilian; Teichmann, Julian; Lerner, Hans-Wolfram; Bolte, Michael; Wagner, Matthias |
| Journal of publication | Acta crystallographica. Section E, Crystallographic communications |
| Year of publication | 2017 |
| Journal volume | 73 |
| Journal issue | Pt 12 |
| Pages of publication | 1903 - 1907 |
| a | 20.9091 ± 0.0015 Å |
| b | 15.7423 ± 0.0007 Å |
| c | 19.8734 ± 0.0016 Å |
| α | 90° |
| β | 112.451 ± 0.006° |
| γ | 90° |
| Cell volume | 6045.7 ± 0.8 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.1298 |
| Residual factor for significantly intense reflections | 0.1033 |
| Weighted residual factors for significantly intense reflections | 0.1884 |
| Weighted residual factors for all reflections included in the refinement | 0.199 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.153 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301809 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/31/ Each referenced PubChem compound corresponds to the full crystal structure. |
2311532.cif |
| 245962 | 2019-12-25 | cif/ Adding structures of 2311532, 2311533 via cif-deposit CGI script. |
2311532.cif |
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Users of the data should acknowledge the original authors of the
structural data.