Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7016297
Preview
Coordinates | 7016297.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C52 H42 Cl3 P3 Pd S2 |
---|---|
Calculated formula | C52 H42 Cl3 P3 Pd S2 |
SMILES | [Pd]2(Cl)([S]=P(C12C=C(P(=S)(c2ccccc2)c2ccccc2)c2ccccc12)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1.C(Cl)Cl |
Title of publication | Original palladium pincer complexes deriving from 1,3-bis(thiophosphinoyl)indene proligands: C(sp(3))-H versus C(sp(2))-H bond activation. |
Authors of publication | Nebra, Noel; Lisena, Jérôme; Saffon, Nathalie; Maron, Laurent; Martin-Vaca, Blanca; Bourissou, Didier |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2011 |
Journal volume | 40 |
Journal issue | 35 |
Pages of publication | 8912 - 8921 |
a | 11.4556 ± 0.0003 Å |
b | 12.5154 ± 0.0003 Å |
c | 18.2257 ± 0.0006 Å |
α | 102.868 ± 0.002° |
β | 96.921 ± 0.002° |
γ | 108.763 ± 0.002° |
Cell volume | 2359.21 ± 0.12 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0934 |
Residual factor for significantly intense reflections | 0.0517 |
Weighted residual factors for significantly intense reflections | 0.1146 |
Weighted residual factors for all reflections included in the refinement | 0.1326 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.981 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7016297.html
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.