Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4069662
Preview
| Coordinates | 4069662.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C44 H37 Cl4 I O6 Ru2 |
|---|---|
| Calculated formula | C44 H37 Cl4 I O6 Ru2 |
| SMILES | [Ru]1234([I][Ru]5678([c]9([c]8([c]7([c]6([c]59C)c5ccccc5)c5ccccc5)C)O)(C#[O])C#[O])([C]5([C]4(=[C]3([C]2(=[C]15C)c1ccccc1)c1ccccc1)C)=O)(C#[O])C#[O].C(Cl)Cl.ClCCl |
| Title of publication | Formation of an Iodide-Bridged Diruthenium Complex from [(η5-Ph4C4COH)(CO)2RuI] and [(Ph4C4CO)(CO)2Ru]2: An Efficient Catalyst for Alcohol Oxidation with Ag2O |
| Authors of publication | Do, Youngshil; Ko, Soo-Byung; Hwang, In-Chul; Lee, Kyung-Eun; Lee, Soon W.; Park, Jaiwook |
| Journal of publication | Organometallics |
| Year of publication | 2009 |
| Journal volume | 28 |
| Journal issue | 15 |
| Pages of publication | 4624 |
| a | 16.104 ± 0.014 Å |
| b | 16.875 ± 0.015 Å |
| c | 17.228 ± 0.015 Å |
| α | 90° |
| β | 104.437 ± 0.015° |
| γ | 90° |
| Cell volume | 4534 ± 7 Å3 |
| Cell temperature | 243 ± 2 K |
| Ambient diffraction temperature | 243 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0584 |
| Residual factor for significantly intense reflections | 0.0456 |
| Weighted residual factors for significantly intense reflections | 0.1327 |
| Weighted residual factors for all reflections included in the refinement | 0.145 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.015 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178585 (current) | 2016-03-21 | cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/96. |
4069662.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4069662.cif |
| 40380 | 2012-03-07 | ../uploads/cif-deposit/cod/cif Adding structures of 4069662 via cif-deposit CGI script. |
4069662.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.