Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7060164
Preview
Coordinates | 7060164.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C22.5 H25 Cl N5 O0.5 Pd S |
---|---|
Calculated formula | C22.5 H25 Cl N5 O0.5 Pd S |
Title of publication | PdII- and PtII-mediated coupling of aryl isocyanides with N-heterocyclic thiones |
Authors of publication | Popov, Roman A.; Mikherdov, Alexander S.; Novikov, Alexander S.; Myznikov, Leonid V.; Boyarskiy, Vadim P. |
Journal of publication | New Journal of Chemistry |
Year of publication | 2021 |
Journal volume | 45 |
Journal issue | 4 |
Pages of publication | 1785 - 1789 |
a | 32.138 ± 0.0006 Å |
b | 7.4729 ± 0.0001 Å |
c | 19.9249 ± 0.0003 Å |
α | 90° |
β | 100.303 ± 0.002° |
γ | 90° |
Cell volume | 4708.09 ± 0.13 Å3 |
Cell temperature | 100 ± 0.1 K |
Ambient diffraction temperature | 100 ± 0.1 K |
Number of distinct elements | 7 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0384 |
Residual factor for significantly intense reflections | 0.0261 |
Weighted residual factors for significantly intense reflections | 0.0572 |
Weighted residual factors for all reflections included in the refinement | 0.0633 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
Diffraction radiation probe | x-ray |
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/7060164.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.