Crystal structure of the N,N′,N″-triphenyl-guanidinium-bis-[η5-π-(3)-dicarbollide]Ni(III) complex

Abstract

Single crystals of a new compound containing triphenylguanidinium and bis(dicarbollide)nickel(III) [C(NHC6H5)3][Ni(B9C2H11)2] are obtained and analyzed by LOW-TEMPERATURE. Crystallographic data are: C23H40B18N3Ni, M = 611.87, monoclinic system, space group P21/c, unit cell parameters: a = 21.9085(5) A, b = 19.9294(4) A, c = 14.8721(4) A, β = 91.4033(9)°, V = 6491,5(4) A3, Z = 8, dx = 1.252 g/cm3, T = 100 K, F(000) = 2536, μ = 0.621 mm−1. The structure was solved by direct and Fourier methods and refined by the full matrix least squares technique in the anisotropic/isotropic (for H atoms) approximation up to the final factor R1 = 0.053 for 10429 Ihkl ≥ 2σI (Bruker X8 APEX diffractometer, {ie547-1} radiation). It contains two independent [C(NHC6H5)3]+ cations with different conformations and two [Ni(B9C2H11)2]− anions with the same transoid conformation. Three types of weak intermolecular interactions are found: {ie547-2}; C-H…π between the H(C) atoms of cluster anions and delocalized π systems of Ph rings of cations; π…π interactions of Ph rings of cation 2 with each other.