Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4065485
Preview
Coordinates | 4065485.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C35 H26 Cl5 P Ru |
---|---|
Calculated formula | C35 H26 Cl5 P Ru |
SMILES | [Ru]123456(Cl)(Cl)[P](C7=C(C8c9c(C7c7c8cccc7)cccc9)[c]71[cH]2[cH]3[cH]4[cH]5[cH]67)(c1ccccc1)c1ccccc1.ClC(Cl)Cl |
Title of publication | Ruthenium Complexes of κ(P)- and κ(P)-η6-Coordinated KITPHOS Monophosphines: Efficient Catalysts for the Direct Ortho Arylation of 2-Phenylpyridine andN-Phenylpyrazole with Aryl Chlorides |
Authors of publication | Doherty, Simon; Knight, Julian G.; Addyman, Carrie R.; Smyth, Catherine H.; Ward, Nicholas A. B.; Harrington, Ross W. |
Journal of publication | Organometallics |
Year of publication | 2011 |
Journal volume | 30 |
Journal issue | 21 |
Pages of publication | 6010 |
a | 10.0443 ± 0.0004 Å |
b | 12.4461 ± 0.0005 Å |
c | 13.0825 ± 0.0004 Å |
α | 82.659 ± 0.003° |
β | 81.761 ± 0.003° |
γ | 77.868 ± 0.003° |
Cell volume | 1574.36 ± 0.1 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0405 |
Residual factor for significantly intense reflections | 0.0317 |
Weighted residual factors for significantly intense reflections | 0.0771 |
Weighted residual factors for all reflections included in the refinement | 0.0796 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.997 |
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/4065485.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.