Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7708805
Preview
Coordinates | 7708805.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C20 H18 Cl3 N3 O2 Pd S2 |
---|---|
Calculated formula | C20 H18 Cl3 N3 O2 Pd S2 |
Title of publication | Mechanochemistry for the synthesis of non-classical N-metalated palladium(ii) pincer complexes |
Authors of publication | Aleksanyan, Diana V.; Churusova, Svetlana G.; Brunova, Valentina V.; Peregudov, Alexander S.; Shakhov, Aleksander M.; Rybalkina, Ekaterina Yu.; Klemenkova, Zinaida S.; Kononova, Elena G.; Denisov, Gleb L.; Kozlov, Vladimir A. |
Journal of publication | Dalton Transactions |
Year of publication | 2021 |
a | 14.1861 ± 0.0011 Å |
b | 12.4176 ± 0.001 Å |
c | 13.8527 ± 0.0011 Å |
α | 90° |
β | 116.83 ± 0.001° |
γ | 90° |
Cell volume | 2177.6 ± 0.3 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120.15 K |
Number of distinct elements | 7 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0522 |
Residual factor for significantly intense reflections | 0.0321 |
Weighted residual factors for significantly intense reflections | 0.0596 |
Weighted residual factors for all reflections included in the refinement | 0.066 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
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/7708805.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.