Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1567424
Preview
Coordinates | 1567424.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C66 H81 Br Cl12 N4 O2 P2 Ru |
---|---|
Calculated formula | C66 H81 Br Cl12 N4 O2 P2 Ru |
Title of publication | Abnormal NHC ruthenium catalysts: mechanistic investigations of their preparation and steric influence on catalytic performance |
Authors of publication | Böth, Alexander D.; Sauer, Michael J.; Baratta, Walter; Kühn, Fritz E. |
Journal of publication | Catalysis Science & Technology |
Year of publication | 2022 |
Journal volume | 12 |
Journal issue | 18 |
Pages of publication | 5597 - 5603 |
a | 11.3315 ± 0.0007 Å |
b | 12.2669 ± 0.0008 Å |
c | 14.2038 ± 0.001 Å |
α | 77.65 ± 0.003° |
β | 88.094 ± 0.003° |
γ | 75.63 ± 0.002° |
Cell volume | 1867.9 ± 0.2 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100 K |
Number of distinct elements | 8 |
Space group number | 1 |
Hermann-Mauguin space group symbol | P 1 |
Hall space group symbol | P 1 |
Residual factor for all reflections | 0.0369 |
Residual factor for significantly intense reflections | 0.0359 |
Weighted residual factors for significantly intense reflections | 0.0961 |
Weighted residual factors for all reflections included in the refinement | 0.0973 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1567424.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.