Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4064569
Preview
Coordinates | 4064569.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C52 H42 Cl4 Ga2 Si2 |
---|---|
Calculated formula | C52 H42 Cl4 Ga2 Si2 |
SMILES | C(=C\c1ccccc1)(\[Ga]1([Cl][Ga](C(=C\c2ccccc2)/[Si](c2ccccc2)(c2ccccc2)c2ccccc2)([Cl]1)Cl)Cl)[Si](c1ccccc1)(c1ccccc1)c1ccccc1 |
Title of publication | A Unique Chlorine‒Methyl Exchange Reaction upon Treatment of Dichloroorganogallium Compounds, RGaCl2, with the Bulky Alkyllithium Derivative LiC(SiMe3)3 |
Authors of publication | Uhl, Werner; Claesener, Michael; Kovert, Dirk; Hepp, Alexander; Würthwein, Ernst-Ulrich; Ghavtadze, Nugzar |
Journal of publication | Organometallics |
Year of publication | 2011 |
Journal volume | 30 |
Journal issue | 11 |
Pages of publication | 3075 |
a | 9.911 ± 0.002 Å |
b | 10.461 ± 0.002 Å |
c | 13.4 ± 0.003 Å |
α | 68.39 ± 0.03° |
β | 82.91 ± 0.03° |
γ | 65.21 ± 0.03° |
Cell volume | 1171.8 ± 0.6 Å3 |
Cell temperature | 153 ± 2 K |
Ambient diffraction temperature | 153 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0483 |
Residual factor for significantly intense reflections | 0.0327 |
Weighted residual factors for significantly intense reflections | 0.0735 |
Weighted residual factors for all reflections included in the refinement | 0.0774 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.952 |
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/4064569.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.