Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1504397
Preview
Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 1504397.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | bromoform |
---|---|
Chemical name | tribromomethane |
Formula | C H Br3 |
Calculated formula | C H Br3 |
SMILES | C(Br)(Br)Br |
Title of publication | Polar symmetry in new high-pressure phases of chloroform and bromoform. |
Authors of publication | Dziubek, Kamil F.; Katrusiak, Andrzej |
Journal of publication | The journal of physical chemistry. B |
Year of publication | 2008 |
Journal volume | 112 |
Journal issue | 38 |
Pages of publication | 12001 - 12009 |
a | 6.3119 ± 0.0012 Å |
b | 6.3119 ± 0.0012 Å |
c | 7.151 ± 0.016 Å |
α | 90° |
β | 90° |
γ | 120° |
Cell volume | 246.7 ± 0.6 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 295 ± 2 K |
Number of distinct elements | 3 |
Space group number | 173 |
Hermann-Mauguin space group symbol | P 63 |
Hall space group symbol | P 6c |
Residual factor for all reflections | 0.0304 |
Residual factor for significantly intense reflections | 0.0253 |
Weighted residual factors for significantly intense reflections | 0.0722 |
Weighted residual factors for all reflections included in the refinement | 0.0761 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.764 |
Diffraction radiation probe | x-ray |
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/1504397.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.