Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4086179
Preview
| Coordinates | 4086179.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C33 H48 P2 Pt Si |
|---|---|
| Calculated formula | C33 H48 P2 Pt Si |
| SMILES | c12ccccc1[P](C(C)C)(C(C)C)[Pt]1(c3c(cc(cc3C)C)C)[P](c3c(cccc3)[SiH]21)(C(C)C)C(C)C |
| Title of publication | Silyl‒Silylene Interplay in Cationic PSiP Pincer Complexes of Platinum |
| Authors of publication | DeMott, Jessica C.; Gu, Weixing; McCulloch, Billy J.; Herbert, David E.; Goshert, Mitchell D.; Walensky, Justin R.; Zhou, Jia; Ozerov, Oleg V. |
| Journal of publication | Organometallics |
| Year of publication | 2015 |
| Journal volume | 34 |
| Journal issue | 16 |
| Pages of publication | 3930 |
| a | 8.186 ± 0.0004 Å |
| b | 17.9079 ± 0.0009 Å |
| c | 21.7954 ± 0.0011 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3195.1 ± 0.3 Å3 |
| Cell temperature | 110 ± 2 K |
| Ambient diffraction temperature | 110 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0204 |
| Residual factor for significantly intense reflections | 0.0188 |
| Weighted residual factors for significantly intense reflections | 0.0387 |
| Weighted residual factors for all reflections included in the refinement | 0.0392 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.908 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176428 (current) | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
4086179.cif |
| 154740 | 2015-09-06 | cif/ Updating files of 4086177, 4086178, 4086179, 4086180, 4086181 Original log message: Adding full bibliography for 4086177--4086181.cif. |
4086179.cif |
| 152947 | 2015-08-06 | cif/ Adding structures of 4086177, 4086178, 4086179, 4086180, 4086181 via cif-deposit CGI script. |
4086179.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.