CRYSTAL STRUCTURE OF THE N,N',N"-TRIPHENYLGUANIDINIUM-bis-[h5-ПЂ-(3)-DICARBOLLIDE]Ni(III) COMPLEX
T. M. Polyanskaya, M. K. Drozdova, V. V. Volkov
A. V. Nikolaev Institute of Inorganic Chemistry, Siberian Division Russian Academy of Sciences, Novosibirsk
polyan@niic.nsc.ru
Keywords: low-temperature single crystal XRD, crystal structure, triphenylguanidinium, bis(dicarbollide)nickel, intermolecular interactions
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/с, unit cell parameters: a = 21.9085(5) Å, b = 19.9294(4) Å, c = 14.8721(4) Å, β = 91.4033(9)°, V = 6491,5(4) Å3, 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, MoKα 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: N–Hδ+⋯δ–H–B; 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.
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