Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4031930
Preview
| Coordinates | 4031930.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H56 O12 S8 Si8 |
|---|---|
| Calculated formula | C12 H28 O6 S4 Si4 |
| Title of publication | Octa(3-mercaptopropyl)octasilsesquioxane - A reactive nanocube of unique self-assembled packing morphology |
| Authors of publication | Anna Kowalewska |
| Journal of publication | Journal of Organometallic Chemistry |
| Year of publication | 2016 |
| Journal volume | 810 |
| Pages of publication | 15 - 24 |
| a | 9.5967 ± 0.0007 Å |
| b | 9.6229 ± 0.0007 Å |
| c | 13.7596 ± 0.001 Å |
| α | 74.082 ± 0.002° |
| β | 78.938 ± 0.002° |
| γ | 79.032 ± 0.002° |
| Cell volume | 1186.42 ± 0.15 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0385 |
| Residual factor for significantly intense reflections | 0.0376 |
| Weighted residual factors for significantly intense reflections | 0.0948 |
| Weighted residual factors for all reflections included in the refinement | 0.0956 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180656 (current) | 2016-03-31 | cif/4/03/19/ Adding DOI for entry 4031930. |
4031930.cif |
| 178332 | 2016-03-18 | cif/ Adding structures of 4031930 via cif-deposit CGI script. |
4031930.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.