Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4084864
Preview
Coordinates | 4084864.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C41 H39 O11 P Ru3 |
---|---|
Calculated formula | C41 H39 O11 P Ru3 |
SMILES | [Ru]1([Ru]([Ru]1(C#[O])(C#[O])(C#[O])C#[O])(C#[O])(C#[O])(C#[O])C#[O])(C#[O])(C#[O])(C#[O])[P](C1=C(Cc2c1cccc2)c1c(cc(cc1C)C)C)(C1CCCCC1)C1CCCCC1 |
Title of publication | Indenyl Ruthenium Complexes with an Unusual η3Coordination Mode |
Authors of publication | Yuan, Jia; Han, Zhi-Jun; Peng, Hui; Pi, Yun-Xiao; Chen, You; Liu, Sheng-Hua; Yu, Guang-Ao |
Journal of publication | Organometallics |
Year of publication | 2014 |
Journal volume | 33 |
Journal issue | 24 |
Pages of publication | 7325 |
a | 10.8501 ± 0.0014 Å |
b | 19.699 ± 0.003 Å |
c | 19.699 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 4210.4 ± 0.8 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 2 K |
Number of distinct elements | 5 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0558 |
Residual factor for significantly intense reflections | 0.0428 |
Weighted residual factors for significantly intense reflections | 0.0989 |
Weighted residual factors for all reflections included in the refinement | 0.1134 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.092 |
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/4084864.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.