Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4106160
Preview
Coordinates | 4106160.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | Bromo-(η^2^-ethylene)-(9,9-dimethyl-4,5-(diphenylphosphino)(diphenyl-o-phenylene-phosphino)-9-silaxanthene-P,P')-nitrosyl-rhenium(I) |
---|---|
Formula | C40 H35 Br N O2 P2 Re Si |
Calculated formula | C40 H35 Br N O2 P2 Re Si |
SMILES | [CH2]1=[CH2][Re]231(c1c(cccc1)[P]2(c1ccccc1)c1cccc2c1Oc1c(cccc1[Si]2(C)C)[P]3(c1ccccc1)c1ccccc1)(N=O)Br |
Title of publication | Rhenium in Homogeneous Catalysis: [ReBrH(NO)(labile ligand)(large-bite-angle diphosphine)] Complexes as Highly Active Catalysts in Olefin Hydrogenations |
Authors of publication | Balz Dudle; Kunjanpillai Rajesh; Olivier Blacque; Heinz Berke |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2011 |
Journal volume | 133 |
Pages of publication | 8168 - 8178 |
a | 18.0902 ± 0.0001 Å |
b | 9.6663 ± 0.0001 Å |
c | 20.1922 ± 0.0002 Å |
α | 90° |
β | 93.795 ± 0.001° |
γ | 90° |
Cell volume | 3523.17 ± 0.05 Å3 |
Cell temperature | 183 ± 2 K |
Ambient diffraction temperature | 183 ± 2 K |
Number of distinct elements | 8 |
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 | 0.0333 |
Residual factor for significantly intense reflections | 0.0226 |
Weighted residual factors for significantly intense reflections | 0.0449 |
Weighted residual factors for all reflections included in the refinement | 0.046 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.946 |
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/4106160.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.