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Information card for entry 7248203
Preview
| Coordinates | 7248203.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C35 H61 O2 Si2 Yb |
|---|---|
| Calculated formula | C35 H61 O2 Si2 Yb |
| SMILES | [Yb](C([Si](C)(C)C)[Si](C)(C)C)(Oc1c(cccc1C(C)(C)C)C(C)(C)C)Oc1c(cccc1C(C)(C)C)C(C)(C)C |
| 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 | 12.6785 ± 0.0003 Å |
| b | 14.3864 ± 0.0003 Å |
| c | 22.0939 ± 0.0005 Å |
| α | 106.806 ± 0.002° |
| β | 102.024 ± 0.002° |
| γ | 90.3602 ± 0.0019° |
| Cell volume | 3763.59 ± 0.16 Å3 |
| Cell temperature | 100.6 ± 0.8 K |
| Ambient diffraction temperature | 100.6 ± 0.8 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 | 0.0761 |
| Residual factor for significantly intense reflections | 0.0584 |
| Weighted residual factors for significantly intense reflections | 0.1398 |
| Weighted residual factors for all reflections included in the refinement | 0.1509 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.092 |
| 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 | No |
| 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. |
7248203.cif |
| 289903 | 2024-02-21 | cif/ Adding structures of 7248201, 7248202, 7248203 via cif-deposit CGI script. |
7248203.cif |
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