Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7248202
Preview
| Coordinates | 7248202.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C28 H59 O Si4 Yb |
|---|---|
| Calculated formula | C28 H59 O Si4 Yb |
| Title of publication | Geometry and electronic structure of Yb(III)[CH(SiMe<sub>3</sub>)<sub>2</sub>]<sub>3</sub> from EPR and solid-state NMR augmented by computations. |
| Authors of publication | Ashuiev, Anton; Allouche, Florian; Islam, Md Ashraful; Carvalho, José P; Sanders, Kevin J.; Conley, Matthew P.; Klose, Daniel; Lapadula, Giuseppe; Wörle, Michael; Baabe, Dirk; Walter, Marc D.; Pell, Andrew J.; Copéret, Christophe; Jeschke, Gunnar; Pintacuda, Guido; Andersen, Richard A. |
| Journal of publication | Physical chemistry chemical physics : PCCP |
| Year of publication | 2024 |
| Journal volume | 26 |
| Journal issue | 11 |
| Pages of publication | 8734 - 8747 |
| a | 12.7256 ± 0.0007 Å |
| b | 13.6737 ± 0.0007 Å |
| c | 20.4896 ± 0.0011 Å |
| α | 89.3522 ± 0.0008° |
| β | 89.6376 ± 0.0008° |
| γ | 89.7839 ± 0.0008° |
| Cell volume | 3565 ± 0.3 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 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 | 0.0678 |
| Residual factor for significantly intense reflections | 0.0394 |
| Weighted residual factors for significantly intense reflections | 0.0747 |
| Weighted residual factors for all reflections included in the refinement | 0.0863 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Diffraction radiation X-ray symbol | K-L~3~ |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 291066 (current) | 2024-04-05 | cif/ Updating files of 7248201, 7248202, 7248203 Original log message: Adding full bibliography for 7248201--7248203.cif. |
7248202.cif |
| 289903 | 2024-02-21 | cif/ Adding structures of 7248201, 7248202, 7248203 via cif-deposit CGI script. |
7248202.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.