Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4109873
Preview
| Coordinates | 4109873.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C38 H98 Si14 |
|---|---|
| Calculated formula | C38 H98 Si14 |
| Title of publication | Thermal and Photochemical Cleavage of SiSi Double Bond in Tetrasila-1,3-diene |
| Authors of publication | Kei Uchiyama; Selvarajan Nagendran; Shintaro Ishida; Takeaki Iwamoto; Mitsuo Kira |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2007 |
| Journal volume | 129 |
| Pages of publication | 10638 - 10639 |
| a | 11.752 ± 0.004 Å |
| b | 20.105 ± 0.007 Å |
| c | 25.035 ± 0.009 Å |
| α | 97.411 ± 0.007° |
| β | 94.372 ± 0.006° |
| γ | 97.689 ± 0.007° |
| Cell volume | 5787 ± 4 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1123 |
| Residual factor for significantly intense reflections | 0.0905 |
| Weighted residual factors for significantly intense reflections | 0.1703 |
| Weighted residual factors for all reflections included in the refinement | 0.1814 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.219 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301832 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/10/ Each referenced PubChem compound corresponds to the full crystal structure. |
4109873.cif |
| 178844 | 2016-03-21 | cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/98. |
4109873.cif |
| 120076 | 2014-07-11 | Adding DOIs to range 4/10 structures. | 4109873.cif |
| 58651 | 2012-05-29 | cif/ Adding structures of 4109873 via cif-deposit CGI script. |
4109873.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.