Received 3 September 2013
aDepartment of Chemistry, University of West Florida, 11000 University Parkway, Pensacola, FL 32514, USA,bDepartment of Chemistry, Northwestern University, 2145 Sheridan Road, Evanston, IL 60208, USA, and cDepartment of Chemistry, Massachusetts Institute of Technology, 77 Massachusetts Avenue, Cambridge, MA 02139, USA
Correspondence e-mail: email@example.com
In the title compound, [Cu(CH3CN)4](C2HO4)·0.5C2H2O4·0.5CH3CN, the CuI ion is coordinated by the N atoms of four acetonitrile ligands in a slightly distorted tetrahedral environment. The oxalic acid molecule lies across an inversion center. The acetonitrile solvent molecule is disordered across an inversion center and was refined with half occupancy. In the crystal, the hydrogen oxalate anions and oxalic acid molecules are linked via O-HO hydrogen bonds, forming chains along .
For background to tetrakis(acetonitrile)copper(I) complexes, see: Morgan (1923); Heckel (1966); Kubas et al. (1979). For details of the affinity of nitrile ligands for CuI ions, see: Cotton et al. (1999). For the hard-soft acid-base theory, see: Pearson (1968). For the structure of the closely related tetrakis(acetonitrile)copper(I) tetrafluoroborate, see: Jones & Crespo (1998).
Data collection: APEX2 (Bruker, 2007); cell refinement: SAINT (Bruker, 2007); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: OLEX2 (Dolomanov et al., 2009); software used to prepare material for publication: CHEMDRAW (Cambridgesoft, 2003).
Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: LH5649 ).
ATR, JRS, ODV and ADR are grateful for support from the Office of Research and Sponsored Programs, the Office of Undergraduate Research and the Department of Chemistry at the University of West Florida.
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