Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2018259
Preview
Coordinates | 2018259.cif |
---|---|
Original IUCr paper | HTML |
Chemical name | 1,2-bis(dimethylamino)-1,2-bis(2,6-dimethylanilino)diborane |
---|---|
Formula | C20 H32 B2 N4 |
Calculated formula | C20 H32 B2 N4 |
SMILES | CN(B(B(N(C)C)Nc1c(C)cccc1C)Nc1c(C)cccc1C)C |
Title of publication | A variable-temperature study of 1,2-bis(dimethylamino)-1,2-bis(2,6-dimethylanilino)diborane |
Authors of publication | Batsanov, Andrei S.; Bramham, George; Norman, Nicholas C.; Russell, Christopher A. |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 2011 |
Journal volume | 67 |
Journal issue | 10 |
Pages of publication | o394 - o396 |
a | 10.4957 ± 0.0011 Å |
b | 9.6327 ± 0.001 Å |
c | 10.5554 ± 0.0011 Å |
α | 90° |
β | 98.06 ± 0.02° |
γ | 90° |
Cell volume | 1056.6 ± 0.2 Å3 |
Cell temperature | 200 ± 2 K |
Ambient diffraction temperature | 200 ± 2 K |
Number of distinct elements | 4 |
Space group number | 13 |
Hermann-Mauguin space group symbol | P 1 2/n 1 |
Hall space group symbol | -P 2yac |
Residual factor for all reflections | 0.0621 |
Residual factor for significantly intense reflections | 0.0428 |
Weighted residual factors for significantly intense reflections | 0.1153 |
Weighted residual factors for all reflections included in the refinement | 0.128 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
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/2018259.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.