Crystal structure of a trigonally compressed hexakis-DMF zinc(II) complex

Abstract

The zinc(II) complex [Zn(DMF)6](BPh4)2 [hexakis(N,N-dimethylformamide-κO)zinc(II) bis(tetraphenylborate)] was prepared, and characterized by a single-crystal X-ray method. The compound crystallizes in the orthorhombic space group Pca21 and Z = 4 with cell parameters a = 30.231(5)Å, b = 9.2503(14)Å, c = 22.083(3)Å, V = 6175.2(16)Å3. The R1 [I > 2σ(I)] and wR2 (all data) values are 0.0365 and 0.0744, respectively, for all 14167 independent reflections. Six N,N-dimethylformamide (DMF) molecules coordinate to a zinc(II) ion to form a complex cation, [Zn(DMF)6]2+, approximately belonging to an S6 symmetry. The coordination geometry is trigonally compressed along the pseudo-S6 axis. Among the six coordination bonds, one of them is 1.5% (0.031 Å) longer than the average (2.093 Å); another is 2.1% (0.044 Å) shorter than the average.