Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4072004
Preview
Coordinates | 4072004.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C31 H56 O P2 Ru |
---|---|
Calculated formula | C31 H56 O P2 Ru |
SMILES | C(#[O])[RuH2]([P](C1CCCC1)(C1CCCC1)C1CCCC1)[P](C1CCCC1)(C1CCCC1)C1CCCC1 |
Title of publication | Access to Ruthenium(0) Carbonyl Complexes via Dehydrogenation of a Tricyclopentylphosphine Ligand and Decarbonylation of Alcohols |
Authors of publication | Bolton, Paul D.; Grellier, Mary; Vautravers, Nicolas; Vendier, Laure; Sabo-Etienne, Sylviane |
Journal of publication | Organometallics |
Year of publication | 2008 |
Journal volume | 27 |
Journal issue | 19 |
Pages of publication | 5088 |
a | 14.1991 ± 0.0004 Å |
b | 13.1151 ± 0.0004 Å |
c | 16.3774 ± 0.0005 Å |
α | 90° |
β | 95.543 ± 0.002° |
γ | 90° |
Cell volume | 3035.58 ± 0.16 Å3 |
Cell temperature | 110 ± 2 K |
Ambient diffraction temperature | 110 K |
Number of distinct elements | 5 |
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 | 0.0323 |
Residual factor for significantly intense reflections | 0.0252 |
Weighted residual factors for significantly intense reflections | 0.0632 |
Weighted residual factors for all reflections included in the refinement | 0.0675 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
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/4072004.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.