Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4083147
Preview
Coordinates | 4083147.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | [(η^5^-C~5~Me~5~)Ru{PyNHP(^i^Pr~2~)CH=CHC~6~H~4~Br}Cl][BF~4~].H~2~O |
---|---|
Chemical name | {η^2^-[2-(4-Bromo-phenyl)-vinyl]-di(isopropyl)-(pyridin-2-yl-amine)- phosphonium-κ^1^ N}-chloro-(η^5^-pentamethylcyclopentadienyl)-ruthenium(II) tetrafluoroborate hydrate |
Formula | C29 H42 B Br Cl F4 N2 O P Ru |
Calculated formula | C29 H42 B Br Cl F4 N2 O P Ru |
Title of publication | Counteranion-Dependent Reaction Pathways in the Protonation of Cationic Ruthenium‒Vinylidene Complexes |
Authors of publication | Jiménez-Tenorio, Manuel; Puerta, M. Carmen; Valerga, Pedro; Ortuño, Manuel A.; Ujaque, Gregori; Lledós, Agust\?í |
Journal of publication | Organometallics |
Year of publication | 2014 |
Journal volume | 33 |
Journal issue | 10 |
Pages of publication | 2549 |
a | 8.0391 ± 0.0016 Å |
b | 11.246 ± 0.002 Å |
c | 18.767 ± 0.004 Å |
α | 83.4 ± 0.03° |
β | 82.61 ± 0.03° |
γ | 87.53 ± 0.03° |
Cell volume | 1670.7 ± 0.6 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 10 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0669 |
Residual factor for significantly intense reflections | 0.0598 |
Weighted residual factors for significantly intense reflections | 0.1583 |
Weighted residual factors for all reflections included in the refinement | 0.1644 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4083147.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.