Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4069933
Preview
Coordinates | 4069933.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | Tri-tert-butylphosphonium bis(pentafluorophenyl)-dichloroborate |
---|---|
Formula | C24 H28 B Cl2 F10 P |
Calculated formula | C24 H28 B Cl2 F10 P |
SMILES | c1(c(c(c(c(c1F)F)F)F)F)[B](c1c(c(c(c(c1F)F)F)F)F)(Cl)Cl.C(C)(C)(C)[PH+](C(C)(C)C)C(C)(C)C |
Title of publication | Metal-Free Hydrogen Activation by the Frustrated Lewis Pairs of ClB(C6F5)2and HB(C6F5)2and Bulky Lewis Bases |
Authors of publication | Jiang, Chunfang; Blacque, Olivier; Berke, Heinz |
Journal of publication | Organometallics |
Year of publication | 2009 |
Journal volume | 28 |
Journal issue | 17 |
Pages of publication | 5233 |
a | 8.8527 ± 0.0001 Å |
b | 15.7511 ± 0.0002 Å |
c | 19.8253 ± 0.0003 Å |
α | 90° |
β | 95.993 ± 0.002° |
γ | 90° |
Cell volume | 2749.33 ± 0.06 Å3 |
Cell temperature | 183 ± 2 K |
Ambient diffraction temperature | 183 ± 2 K |
Number of distinct elements | 6 |
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 | 0.0536 |
Residual factor for significantly intense reflections | 0.0352 |
Weighted residual factors for significantly intense reflections | 0.083 |
Weighted residual factors for all reflections included in the refinement | 0.0866 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.95 |
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/4069933.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.