Crystallography Open Database

Information card for entry 1518225

Preview

Coordinates	1518225.cif
Original paper (by DOI)	HTML

Structure parameters

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 F_obs	No

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