Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4115650
Preview
| Coordinates | 4115650.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C28 H70 Cl16 N6 Si8 |
|---|---|
| Calculated formula | C28 H70 Cl16 N6 Si8 |
| SMILES | [Si]1([Si]([Si]([Si]([Si]([Si]1(Cl)Cl)(Cl)Cl)(Cl)Cl)(Cl)Cl)(Cl)Cl)(Cl)Cl.[SiH2]12([N+](CC[N]1(CC[N]2(CC)CC)CC)(CC)CC)Cl.[SiH2]12([N+](CC[N]1(CC[N]2(CC)CC)CC)(CC)CC)Cl.[Cl-].[Cl-] |
| Title of publication | Amine-Promoted Disproportionation and Redistribution of Trichlorosilane: Formation of Tetradecachlorocyclohexasilane Dianion1 |
| Authors of publication | Seok-Bong Choi; Beon-Kyu Kim; Philip Boudjouk; Dean G. Grier |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2001 |
| Journal volume | 123 |
| Pages of publication | 8117 - 8118 |
| a | 19.7106 ± 0.0018 Å |
| b | 22.1508 ± 0.0019 Å |
| c | 27.13 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 11845.1 ± 1.7 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.1329 |
| Residual factor for significantly intense reflections | 0.0638 |
| Weighted residual factors for significantly intense reflections | 0.1579 |
| Weighted residual factors for all reflections included in the refinement | 0.1967 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301833 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/11/ Each referenced PubChem compound corresponds to the full crystal structure. |
4115650.cif |
| 178927 | 2016-03-22 | cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/56. |
4115650.cif |
| 120077 | 2014-07-12 | Adding DOIs to range 4/11 structures. | 4115650.cif |
| 69323 | 2012-12-11 | cif/ Adding structures of 4115650 via cif-deposit CGI script. |
4115650.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.