Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7205351
Preview
Coordinates | 7205351.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | bis(ethylenedithio)tetrathiafulvalenium_ tetrabromocobaltate(II)_dichlorobenzene_(4/1/1) |
---|---|
Formula | C46 H36 Br4 Cl2 Co S32 |
Calculated formula | C46 H36 Br4 Cl2 Co S32 |
Title of publication | Phase transition at 320 K in a new layered organic metal conductor (BEDT-TTF)4CoBr4(C6H4Cl2) |
Authors of publication | Shilov, Gena V.; Zhilyaeva, Elena I.; Flakina, Alexandra M.; Torunova, Svetlana A.; Lyubovskii, Rustem B.; Aldoshin, Sergey M.; Lyubovskaya, Rimma N. |
Journal of publication | CrystEngComm |
Year of publication | 2011 |
Journal volume | 13 |
Journal issue | 5 |
Pages of publication | 1467 |
a | 9.742 ± 0.0014 Å |
b | 9.742 ± 0.0014 Å |
c | 74.419 ± 0.015 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 7063 ± 2 Å3 |
Cell temperature | 343 ± 2 K |
Ambient diffraction temperature | 343 ± 2 K |
Number of distinct elements | 6 |
Space group number | 88 |
Hermann-Mauguin space group symbol | I 41/a :2 |
Hall space group symbol | -I 4ad |
Residual factor for all reflections | 0.2886 |
Residual factor for significantly intense reflections | 0.0546 |
Weighted residual factors for significantly intense reflections | 0.0846 |
Weighted residual factors for all reflections included in the refinement | 0.0978 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.975 |
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/7205351.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.