Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7019736
Preview
Coordinates | 7019736.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | tris(2,2,2nonafluorobiphenyl)borane |
---|---|
Chemical name | tris(2,2,2nonafluorobiphenyl)borane |
Formula | C36 B F27 |
Calculated formula | C36 B F27 |
SMILES | Fc1c(F)c(F)c(F)c(c1F)c1c(B(c2c(F)c(F)c(F)c(F)c2c2c(F)c(F)c(F)c(F)c2F)c2c(c(F)c(c(F)c2F)F)c2c(F)c(F)c(c(F)c2F)F)c(F)c(F)c(F)c1F |
Title of publication | Heterolytic activation of hydrogen using frustrated Lewis pairs containing tris(2,2',2''-perfluorobiphenyl)borane. |
Authors of publication | Binding, Samantha C.; Zaher, Hasna; Mark Chadwick, F.; O'Hare, Dermot |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2012 |
Journal volume | 41 |
Journal issue | 30 |
Pages of publication | 9061 - 9066 |
a | 10.4698 ± 0.0003 Å |
b | 16.4472 ± 0.0005 Å |
c | 20.0203 ± 0.0006 Å |
α | 77.4208 ± 0.0015° |
β | 90.005 ± 0.0015° |
γ | 80.2753 ± 0.0016° |
Cell volume | 3313.93 ± 0.17 Å3 |
Cell temperature | 150 K |
Ambient diffraction temperature | 150 K |
Number of distinct elements | 3 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1036 |
Residual factor for significantly intense reflections | 0.0868 |
Weighted residual factors for all reflections | 0.2484 |
Weighted residual factors for significantly intense reflections | 0.2264 |
Weighted residual factors for all reflections included in the refinement | 0.2482 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.9663 |
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/7019736.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.