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Information card for entry 1518225
Preview
Coordinates | 1518225.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | (EC)1:LiCF3SO3 |
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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 |
Revision | Date | Message | Files |
---|---|---|---|
176729 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1518225.cif |
131412 | 2015-02-07 | cif/ Updating files of 1518222, 1518223, 1518224, 1518225, 1518226, 1518227, 1518228, 1518229, 1518230 Original log message: Adding full bibliography for 1518222--1518230.cif. |
1518225.cif |
126625 | 2014-11-07 | cif/ Adding structures of 1518222, 1518223, 1518224, 1518225, 1518226, 1518227, 1518228, 1518229, 1518230 via cif-deposit CGI script. |
1518225.cif |
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Users of the data should acknowledge the original authors of the
structural data.