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Information card for entry 7706537
Preview
| Coordinates | 7706537.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C40 H108 Ge6 Se10 Si12 |
|---|---|
| Calculated formula | C40 H108 Ge6 Se10 Si12 |
| Title of publication | LiEC(SiMe<sub>3</sub>)<sub>3</sub> (E = Se, Te) as a new donor of chalcogen atoms for the generation of binary [(R<sub> <i>x</i> </sub>Ge<sub> <i>y</i> </sub>)E<sub> <i>z</i> </sub>] cage compounds with unique structural features. |
| Authors of publication | Kunz, Tanja; Şahin, Orhan; Schrenk, Claudio; Schnepf, Andreas |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2021 |
| Journal volume | 50 |
| Journal issue | 7 |
| Pages of publication | 2663 - 2670 |
| a | 17.9129 ± 0.0014 Å |
| b | 20.5298 ± 0.0017 Å |
| c | 13.922 ± 0.0011 Å |
| α | 90° |
| β | 100.402 ± 0.002° |
| γ | 90° |
| Cell volume | 5035.6 ± 0.7 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 5 |
| Space group number | 8 |
| Hermann-Mauguin space group symbol | C 1 m 1 |
| Hall space group symbol | C -2y |
| Residual factor for all reflections | 0.0789 |
| Residual factor for significantly intense reflections | 0.0488 |
| Weighted residual factors for significantly intense reflections | 0.1138 |
| Weighted residual factors for all reflections included in the refinement | 0.1264 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.944 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301878 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/70/ Each referenced PubChem compound corresponds to the full crystal structure. |
7706537.cif |
| 262659 | 2021-03-05 | cif/ Updating files of 7706536, 7706537, 7706538, 7706539 Original log message: Adding full bibliography for 7706536--7706539.cif. |
7706537.cif |
| 261376 | 2021-02-03 | cif/ Adding structures of 7706536, 7706537, 7706538, 7706539 via cif-deposit CGI script. |
7706537.cif |
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Users of the data should acknowledge the original authors of the
structural data.