Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 8102529
Preview
Coordinates | 8102529.cif |
---|
Chemical name | 2,4,5-Tribromo-1-methyl-1H-Imidazole |
---|---|
Formula | C4 H3 Br3 N2 |
Calculated formula | C4 H3 Br3 N2 |
Title of publication | Crystal structure of 2,4,5-tribromo-1-methyl-1H-imidazole, C4H3Br3N2 |
Authors of publication | Tim Peppel; Martin Köckerling |
Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
Year of publication | 2009 |
Journal volume | 224 |
Journal issue | 4 |
Pages of publication | 597 |
a | 6.9066 ± 0.0003 Å |
b | 7.0812 ± 0.0003 Å |
c | 16.1046 ± 0.0006 Å |
α | 78.093 ± 0.002° |
β | 82.467 ± 0.002° |
γ | 89.781 ± 0.002° |
Cell volume | 763.81 ± 0.05 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.032 |
Residual factor for significantly intense reflections | 0.0259 |
Weighted residual factors for significantly intense reflections | 0.0619 |
Weighted residual factors for all reflections included in the refinement | 0.0637 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
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/8102529.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.