Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1565454
Preview
Coordinates | 1565454.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C14 H20 Br9 N2 Sb |
---|---|
Calculated formula | C14 H20 Br9 N2 Sb |
SMILES | C[n+]1ccccc1C.[Br-][Sb](Br)(Br)(Br)(Br)Br.Br[Br-]Br.C[n+]1ccccc1C |
Title of publication | Five new Sb(V) bromide complexes and their polybromide derivatives with pyridinium-type cations: Structures, thermal stability and features of halogenâ‹Żhalogen contacts in solid state |
Authors of publication | Adonin, Sergey A.; Bondarenko, Mikhail A.; Novikov, Alexander S.; Plyusnin, Pavel E.; Korolkov, Ilya V.; Sokolov, Maxim N.; Fedin, Vladimir P. |
Journal of publication | Inorganica Chimica Acta |
Year of publication | 2020 |
Journal volume | 502 |
Pages of publication | 119278 |
a | 7.3284 ± 0.0003 Å |
b | 10.5875 ± 0.0005 Å |
c | 16.7538 ± 0.0008 Å |
α | 90° |
β | 96.005 ± 0.004° |
γ | 90° |
Cell volume | 1292.78 ± 0.1 Å3 |
Cell temperature | 135 ± 2 K |
Ambient diffraction temperature | 135 ± 2 K |
Number of distinct elements | 5 |
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 | 0.059 |
Residual factor for significantly intense reflections | 0.0381 |
Weighted residual factors for significantly intense reflections | 0.074 |
Weighted residual factors for all reflections included in the refinement | 0.0828 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.004 |
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/1565454.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.