The structure of tetrafluoroboratotris(triphenylphosphine)copper(I), Cu(BF4)(P(C6H5)3)3, has been determined from three-dimensional X-ray data collected by counter techniques. The material crystallizes in space group C3 1-P3 of the trigonal system with three crystallographically independent molecules of the complex in the unit cell, each possessing imposed C3 symmetry. Crystal data are a = 18.749 (3) Å, c = 11.588 (2) Å, V = 3527.8 Å3, ρmeasd = 1.34 (2) g/cm3, and ρcacld = 1.32 g/cm3. The structure has been refined by a full-matrix least-squares procedure to a conventional R index of 0.050 for 2615 observations having Fo 2> 3σ(Fo2). The absolute configuration has been assigned on the basis of statistical and experimental tests as RSS. The structural results reveal a molecular complex with the BF4 - anion weakly coordinated to the copper atom through one of its terminal fluorine atoms. The coordination geometry about the copper atom may be described as trigonally distorted tetrahedral. The three independent molecules are roughly equivalent and the structure is discussed in terms of an averaged molecule. Averaged distances and angles of interest are as follows: Cu-P, 2.298 Å; Cu-F (coordinated), 2.31 Å; B-F (coordinated), 1.39 Å; B-F (terminal), 1.35 Å; P-Cu-P, 115.6°; P-Cu-F(coordinated), 102.2°. The infrared and Raman spectra of the complex have been recorded and the frequencies of the Cu-F stretch and the various modes of the BF4 - group have been assigned. The The nature of the Cu-FBF3 interaction is discussed.
ASJC Scopus subject areas
- Physical and Theoretical Chemistry
- Inorganic Chemistry