Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4073566
Preview
| Coordinates | 4073566.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C29 H8 O17 Ru6 S2 |
|---|---|
| Calculated formula | C29 H8 O17 Ru6 S2 |
| SMILES | [Ru]12([S]345[Ru]6789([Ru]%10%113([Ru]3%124([Ru]56([Ru]7%103(C#[O])(C#[O])C#[O])(C%12=O)(C#[O])(C#[O])C9=O)(C%11=O)(C#[O])C#[O])(C8=O)(C#[O])C#[O])([S](c3c1cccc3)c1c2cccc1)C#[O])(C#[O])(C#[O])C#[O] |
| Title of publication | New Ruthenium Carbonyl Clusters Containing Unusual μ5-Sulfido-, μ4-Benzyne-, and Thianthrene-Derived Ligands: Insertion of Ruthenium into the Thianthrene Ring by C−S Activation |
| Authors of publication | Hassan, Mohammad R.; Kabir, Shariff E.; Nicholson, Brian K.; Nordlander, Ebbe; Uddin, Md. Nazim |
| Journal of publication | Organometallics |
| Year of publication | 2007 |
| Journal volume | 26 |
| Journal issue | 18 |
| Pages of publication | 4627 |
| a | 11.456 ± 0.001 Å |
| b | 15.88 ± 0.001 Å |
| c | 19.179 ± 0.001 Å |
| α | 90° |
| β | 90.261 ± 0.001° |
| γ | 90° |
| Cell volume | 3489 ± 0.4 Å3 |
| Cell temperature | 87 ± 2 K |
| Ambient diffraction temperature | 87 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0248 |
| Residual factor for significantly intense reflections | 0.0219 |
| Weighted residual factors for significantly intense reflections | 0.0497 |
| Weighted residual factors for all reflections included in the refinement | 0.0511 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178624 (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 4/07/35. |
4073566.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4073566.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4073566.cif |
| 46424 | 2012-03-21 | ../uploads/cif-deposit/cod/cif Adding structures of 4073565, 4073566, 4073567, 4073568 via cif-deposit CGI script. |
4073566.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.