Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4072006
Preview
| Coordinates | 4072006.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C33 H54 O P2 Ru |
|---|---|
| Calculated formula | C33 H54 O P2 Ru |
| SMILES | C(#[O])[Ru]123([CH]#[CH]1)([CH]1CC(C[CH]2=1)[P]3(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 | 13.0141 ± 0.0006 Å |
| b | 15.4869 ± 0.0008 Å |
| c | 16.3101 ± 0.0007 Å |
| α | 90° |
| β | 110.853 ± 0.004° |
| γ | 90° |
| Cell volume | 3071.9 ± 0.3 Å3 |
| Cell temperature | 110 K |
| Ambient diffraction temperature | 110 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0406 |
| Residual factor for significantly intense reflections | 0.0353 |
| Weighted residual factors for significantly intense reflections | 0.09 |
| Weighted residual factors for all reflections included in the refinement | 0.0981 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178609 (current) | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/20. |
4072006.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4072006.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4072006.cif |
| 44170 | 2012-03-15 | ../uploads/cif-deposit/cod/cif Adding structures of 4072006 via cif-deposit CGI script. |
4072006.cif |
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.