Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4085999
Preview
Coordinates | 4085999.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C43 H40 B Cl O P2 Ru |
---|---|
Calculated formula | C43 H40 B Cl O P2 Ru |
SMILES | [Ru]12345([P](c6ccccc6)(c6ccccc6)c6ccccc6)([P](c6ccccc6)(c6ccccc6)c6ccccc6)(Cl)[B]6([CH]1=[CH]3C5[CH]4=[CH]26)OCC |
Title of publication | Half-SandwichB-Oxy Boratabenzene Ruthenium Complexes: Synthesis, Characterization, and Reactivity of (η6-C5H5BOR)RuCl(PPh3)2(R = Et, Me) |
Authors of publication | Li, Ting; Fu, Chen; Liu, Zi; Guo, Shuiliang; Liu, Zicheng; Wen, Ting-Bin |
Journal of publication | Organometallics |
Year of publication | 2015 |
Journal volume | 34 |
Journal issue | 13 |
Pages of publication | 3292 |
a | 10.022 ± 0.0005 Å |
b | 10.2762 ± 0.0005 Å |
c | 19.7168 ± 0.001 Å |
α | 75.382 ± 0.004° |
β | 84.538 ± 0.004° |
γ | 66.276 ± 0.005° |
Cell volume | 1798.78 ± 0.17 Å3 |
Cell temperature | 123 K |
Ambient diffraction temperature | 123 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0637 |
Residual factor for significantly intense reflections | 0.0354 |
Weighted residual factors for significantly intense reflections | 0.0436 |
Weighted residual factors for all reflections included in the refinement | 0.046 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.821 |
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/4085999.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.