Crystallography Open Database

Information card for entry 1518229

Preview

Coordinates	1518229.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	(GBL)1:LiBF4
Formula	C4 H6 B F4 Li O2
Calculated formula	C4 H6 B F4 Li O2
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	5.0642 ± 0.0002 Å
b	9.9457 ± 0.0003 Å
c	14.6921 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	740 ± 0.04 Å³
Cell temperature	110 K
Ambient diffraction temperature	110 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.058
Residual factor for significantly intense reflections	0.0388
Weighted residual factors for significantly intense reflections	0.0937
Weighted residual factors for all reflections included in the refinement	0.1034
Goodness-of-fit parameter for all reflections included in the refinement	1.005
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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