Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4063660
Preview
Coordinates | 4063660.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C36 H21 N O6 Ru3 |
---|---|
Calculated formula | C36 H21 N O6 Ru3 |
SMILES | [Ru]12345([Ru]6789%10([Ru]%11%12([n]%13ccccc%13[c]%131[c]12cccc[c]31[cH]4[c]5%13[C]6%11=[C]7(c1ccccc1)[CH]8=[C]9%12c1ccccc1)(C#[O])(C#[O])[H]%10)(C#[O])C#[O])(C#[O])C#[O] |
Title of publication | Reactions of a Trinuclear Ruthenium Complex Derived from 3-(2-Pyridyl)indene with Diphenylacetylene and Phenylacetylene: Insertion of Alkynes into the Ru−C bond |
Authors of publication | Chen, Dafa; Zhang, Congying; Xu, Shansheng; Song, Haibin; Wang, Baiquan |
Journal of publication | Organometallics |
Year of publication | 2011 |
Journal volume | 30 |
Journal issue | 4 |
Pages of publication | 676 |
a | 10.0956 ± 0.0011 Å |
b | 15.8247 ± 0.0018 Å |
c | 19.84 ± 0.002 Å |
α | 90° |
β | 92.212 ± 0.002° |
γ | 90° |
Cell volume | 3167.3 ± 0.6 Å3 |
Cell temperature | 294 ± 2 K |
Ambient diffraction temperature | 294 ± 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 | 0.0481 |
Residual factor for significantly intense reflections | 0.0297 |
Weighted residual factors for significantly intense reflections | 0.0685 |
Weighted residual factors for all reflections included in the refinement | 0.0782 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4063660.html
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.