Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4085548
Preview
| Coordinates | 4085548.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | η^2^-1,5-Cyclooctadienyl)-dichlorido-(N,N,N'-trimethylethylenediamine)- ruthenium(II) |
|---|---|
| Formula | C13 H26 Cl2 N2 Ru |
| Calculated formula | C13 H26 Cl2 N2 Ru |
| SMILES | [Ru]1234(Cl)(Cl)([N](CC[NH]1C)(C)C)[CH]1=[CH]2CC[CH]3=[CH]4CC1 |
| Title of publication | Atom-Economical Synthesis of the Versatile Ruthenium Precursor [TpRuCl(COD)] (Tp = Hydrotris(pyrazol-1-yl)borate) Discloses a Diamine Ligand Dealkylation Process |
| Authors of publication | Jiménez-Tenorio, Manuel; Puerta, M. Carmen; Valerga, Pedro |
| Journal of publication | Organometallics |
| Year of publication | 2015 |
| Journal volume | 34 |
| Journal issue | 5 |
| Pages of publication | 1001 |
| a | 25.543 ± 0.005 Å |
| b | 8.7306 ± 0.0017 Å |
| c | 14.199 ± 0.003 Å |
| α | 90° |
| β | 104.11 ± 0.03° |
| γ | 90° |
| Cell volume | 3070.9 ± 1.1 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0273 |
| Residual factor for significantly intense reflections | 0.0254 |
| Weighted residual factors for significantly intense reflections | 0.058 |
| Weighted residual factors for all reflections included in the refinement | 0.0593 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.066 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178744 (current) | 2016-03-21 | cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/55. |
4085548.cif |
| 134859 | 2015-04-04 | cif/ Updating files of 4085548 Original log message: Adding full bibliography for 4085548.cif. |
4085548.cif |
| 132395 | 2015-02-25 | cif/ Adding structures of 4085548 via cif-deposit CGI script. |
4085548.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.