Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1518225
Preview
Coordinates | 1518225.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | (EC)1:LiCF3SO3 |
---|---|
Formula | C4 H4 F3 Li O6 S |
Calculated formula | C4 H4 F3 Li O6 S |
Title of publication | Structural Interactions within Lithium Salt Solvates: Cyclic Carbonates and Esters |
Authors of publication | Seo, Daniel M.; Afroz, Taliman; Allen, Joshua L.; Boyle, Paul D.; Trulove, Paul C.; De Long, Hugh C.; Henderson, Wesley A. |
Journal of publication | The Journal of Physical Chemistry C |
Year of publication | 2014 |
Journal volume | 118 |
Journal issue | 45 |
Pages of publication | 25884 |
a | 5.156 ± 0.0001 Å |
b | 10.4912 ± 0.0002 Å |
c | 16.5902 ± 0.0004 Å |
α | 90° |
β | 107.515 ± 0.0011° |
γ | 90° |
Cell volume | 855.8 ± 0.03 Å3 |
Cell temperature | 110 K |
Ambient diffraction temperature | 110 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0403 |
Residual factor for significantly intense reflections | 0.0283 |
Weighted residual factors for significantly intense reflections | 0.0739 |
Weighted residual factors for all reflections included in the refinement | 0.0784 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.066 |
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/1518225.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.