Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4133979
Preview
Coordinates | 4133979.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | Ferrocene:hexafluorobenzene |
---|---|
Formula | C16 H10 F6 Fe |
Calculated formula | C16 H10 F6 Fe |
Title of publication | Influence of Solvent in Crystal Engineering: A Significant Change to the Order-Disorder Transition in Ferrocene. |
Authors of publication | Bear, Joseph C.; Cockcroft, Jeremy K.; Williams, Jeffrey H. |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2020 |
Journal volume | 142 |
Journal issue | 4 |
Pages of publication | 1731 - 1734 |
a | 7.1683 ± 0.0005 Å |
b | 9.2643 ± 0.0006 Å |
c | 11.916 ± 0.0008 Å |
α | 76.588 ± 0.006° |
β | 77.763 ± 0.006° |
γ | 83.749 ± 0.006° |
Cell volume | 750.78 ± 0.09 Å3 |
Cell temperature | 304 K |
Ambient diffraction temperature | 304 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | B -1 |
Hall space group symbol | -B 1 |
Residual factor for all reflections | 0.0415 |
Residual factor for significantly intense reflections | 0.0407 |
Weighted residual factors for significantly intense reflections | 0.1135 |
Weighted residual factors for all reflections included in the refinement | 0.1146 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.07 |
Diffraction radiation probe | x-ray |
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/4133979.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.