Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7708155
Preview
| Coordinates | 7708155.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C42 H44 La P Se Si |
|---|---|
| Calculated formula | C42 H44 La P Se Si |
| SMILES | [La]123456789%10%11%12([cH]%13[cH]1[cH]2[cH]%10[cH]3%13)([cH]1[cH]%11[cH]6[cH]5[cH]41)[cH]1[cH]7[cH]8[cH]%12[cH]91.[Se-][Si](C)(C)C.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1 |
| Title of publication | Heavy silylchalcogenido lanthanates synthesis Ph<sub>4</sub>P[Cp<sub>3</sub>La-ESiMe<sub>3</sub>] (E = S, Se, and Te) <i>via</i> fluoride-induced demethylation of dimethylcarbonate to Ph<sub>4</sub>P[OCO<sub>2</sub>Me] key intermediate. |
| Authors of publication | Guschlbauer, Jannick; Vollgraff, Tobias; Xie, Xiulan; Fetoh, Ahmed; Sundermeyer, Jörg |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2021 |
| Journal volume | 50 |
| Journal issue | 37 |
| Pages of publication | 13103 - 13111 |
| a | 14.1259 ± 0.0009 Å |
| b | 17.0307 ± 0.0009 Å |
| c | 17.0151 ± 0.0011 Å |
| α | 90° |
| β | 111.185 ± 0.005° |
| γ | 90° |
| Cell volume | 3816.8 ± 0.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0382 |
| Residual factor for significantly intense reflections | 0.0328 |
| Weighted residual factors for significantly intense reflections | 0.0807 |
| Weighted residual factors for all reflections included in the refinement | 0.0821 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.958 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 269706 (current) | 2021-10-06 | cif/ Updating files of 7708147, 7708148, 7708149, 7708150, 7708151, 7708152, 7708153, 7708154, 7708155 Original log message: Adding full bibliography for 7708147--7708155.cif. |
7708155.cif |
| 268272 | 2021-08-28 | cif/ Adding structures of 7708147, 7708148, 7708149, 7708150, 7708151, 7708152, 7708153, 7708154, 7708155 via cif-deposit CGI script. |
7708155.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.