Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4123661
Preview
Coordinates | 4123661.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C31 H36 Cl2 N2 O W |
---|---|
Calculated formula | C31 H36 Cl2 N2 O W |
SMILES | [W](Cl)(=O)(=C1N(C=CN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)(Cl)=CC(C)(C)c1ccccc1 |
Title of publication | Cationic tungsten-oxo-alkylidene-N-heterocyclic carbene complexes: highly active olefin metathesis catalysts. |
Authors of publication | Schowner, Roman; Frey, Wolfgang; Buchmeiser, Michael R. |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2015 |
Journal volume | 137 |
Journal issue | 19 |
Pages of publication | 6188 - 6191 |
a | 16.4333 ± 0.0012 Å |
b | 13.7339 ± 0.0011 Å |
c | 14.8331 ± 0.0012 Å |
α | 90° |
β | 116.82 ± 0.003° |
γ | 90° |
Cell volume | 2987.6 ± 0.4 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
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 | 0.0343 |
Residual factor for significantly intense reflections | 0.0265 |
Weighted residual factors for significantly intense reflections | 0.0591 |
Weighted residual factors for all reflections included in the refinement | 0.0616 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
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/4123661.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.