Received 24 March 2011
aIonic Liquids & Electrolytes for Energy Technologies (ILEET) Laboratory, Department of Chemical and Biomolecular Engineering, North Carolina State University, 911 Partners Way, Raleigh, NC 27695, USA, and bX-ray Structural Facility, Department of Chemistry, North Carolina State University, 2620 Yarbrough Drive, Raleigh, NC 27695, USA
Correspondence e-mail: firstname.lastname@example.org
The title compound, Li+·C2BF2O4-·2C4H8O2S, is a dimeric species, which resides across a crystallographic inversion center. The dimers form eight-membered rings containing two Li+ cations, which are joined by O2S sulfone linkages. The Li+ cations are ligated by four O atoms from the anions and solvent molecules, forming a pseudo-tetrahedral geometry. The exocyclic coordination sites are occupied by O atoms from the oxalate group of the difluoro(oxalato)borate anion and an additional tetramethylene sulfone ligand.
For physiochemical properties of tetramethylene sulfone (TMS), see: Della Monica et al. (1968); Dudley et al. (1991); Domanska et al. (1996). For electrochemical properties of TMS, see: Xu & Angell (2002); Abouimrane et al. (2009); Sun & Angell (2009). For electrochemical properties of lithium difluoro(oxalato)borate (LiDFOB), see: Zhang (2007); Chen et al. (2007); Fu et al. (2010).
Data collection: APEX2 (Bruker, 2009); cell refinement: SAINT (Bruker, 2009); data reduction: SAINT; program(s) used to solve structure: SIR92 (Altomare et al., 1994); program(s) used to refine structure: SHELXTL (Sheldrick, 2008); molecular graphics: ORTEP-3 (Farrugia, 1997); software used to prepare material for publication: cif2tables.py (Boyle, 2008).
Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: SI2348 ).
This work was funded by the US DOE BATT Program (contract DE-AC02-05-CH11231). JLA would like to thank the SMART Scholarship Program and the American Society for Engineering Education (ASEE) for the award of a SMART Graduate Research Fellowship.
Abouimrane, A., Belharouak, I. & Amine, K. (2009). Electrochem. Commun. 11, 1073-1076.
Altomare, A., Cascarano, G., Giacovazzo, C., Guagliardi, A., Burla, M. C., Polidori, G. & Camalli, M. (1994). J. Appl. Cryst. 27, 435.
Boyle, P. D. (2008). http://www.xray.ncsu .edu/PyCIFUtils/
Bruker (2009). APEX2, SAINT and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.
Chen, Z., Liu, J. & Amine, K. (2007). Electrochem. Solid-State Lett. 10, A45-A47.
Della Monica, M., Jannelli, L. & Lamanna, U. (1968). J. Phys. Chem. 72, 1068-1071.
Domanska, U., Moollan, W. & Letcher, T. (1996). J. Chem. Eng. Data, 41, 261-265.
Dudley, J. T., Wilkinson, D. P., Thomas, G., LeVau, R., Woo, S., Blom, H., Horvath, C., Juzkow, M. W., Denis, B., Juric, P., Aghakian, P. & Dahn, J. R. (1991). J. Power Sources, 35, 59-82.
Farrugia, L. J. (1997). J. Appl. Cryst. 30, 565.
Fu, M., Huang, K., Liu, S., Liu, J. & Li, Y. (2010). J. Power Sources, 195, 862-866.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.
Sun, X. & Angell, C. A. (2009). Electrochem. Commun. 11, 1418-1421.
Xu, K. & Angell, C. A. (2002). J. Electrochem. Soc. 149, A920-A926.
Zhang, S. S. (2007). J. Power Sources, 163, 713-718.