Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4070998
Preview
| Coordinates | 4070998.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | complex 6 |
|---|---|
| Formula | C38 H57 O2 P Ru Si2 |
| Calculated formula | C38 H57 O2 P Ru Si2 |
| SMILES | [Ru]12([Si](C)(C)c3cccc4C(c5cccc([Si]1(C)C)c5[O]2c34)(C)C)([P](C1CCCCC1)(C1CCCCC1)C1CCCCC1)C#[O] |
| Title of publication | [Ru(xantsil)(CO)(η6-toluene)]: Synthon for a Highly Unsaturated Ruthenium(II) Complex through Facile Dissociation of the Toluene Ligand [xantsil = (9,9-dimethylxanthene-4,5-diyl)bis(dimethylsilyl)] |
| Authors of publication | Okazaki, Masaaki; Yamahira, Nobukazu; Minglana, Jim Josephus Gabrillo; Komuro, Takashi; Ogino, Hiroshi; Tobita, Hiromi |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 5 |
| Pages of publication | 918 |
| a | 10.1305 ± 0.0017 Å |
| b | 10.3795 ± 0.0012 Å |
| c | 19.2411 ± 0.0018 Å |
| α | 98.116 ± 0.004° |
| β | 92.896 ± 0.006° |
| γ | 112.966 ± 0.008° |
| Cell volume | 1831.8 ± 0.4 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.083 |
| Residual factor for significantly intense reflections | 0.0594 |
| Weighted residual factors for significantly intense reflections | 0.1702 |
| Weighted residual factors for all reflections included in the refinement | 0.2028 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.165 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178598 (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 4/07/09. |
4070998.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4070998.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4070998.cif |
| 42970 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4070996, 4070997, 4070998, 4070999, 4071000 via cif-deposit CGI script. |
4070998.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.