Structure of 10c-azoniafluoranthene hexafluorophosphate

Abstract

CIsHIoN)PF6, Mr = 34922, monoclinic, P2~/m, a = 6-276 (2), b = 11.340 (3), c = 9-730 (2) .A., 13 = 97-17 (2) °, V = 6871 A 3, Z = 2, Dx = 169 g cm -3, A(Mo Ka) = 0.71073 A, /z = 2.58 cm -~, F(000) = 352, R = 0-045 for 950 observed reflections with I_> 3o(/). The planar aromatic cation is located on a mirror plane containing the N atom. Experimental. Clear colorless single crystals were obtained by recrystallization from acetonitrile. Crys- tal dimensions 0.36 x 0.18 x 0.12 mm. Enraf-Nonius CAD-4F diffractometer, graphite-monochromatized Mo Ka radiation; lattice parameters refined by least- squares fitting of 20 values of 25 reflections in the range 10.6-34.8°; to--20 scan mode, to=(1.00+ 0.35tg0)°; 1421 reflections collected, 20max=52 °, +-h,k,l (max. range 7,14,12); 1342 unique reflections • (Rint = 0.012) of which 950 with I--- 3o(/); three stand- ard reflections showed an intensity variation less than 0.1% over 24.5 hours of X-ray exposure time. Lp correction applied, no correction for absorption. Space group P21/m from intensity statistics and successful refinement. The structure was solved by direct methods with MULTANll/82 (Main et al., 1982), refined by full-matrix least squares (on Fs); all Table 1. Non-H-atom parameters and equivalent isotropic thermal parameters (A 2) with e.s.d.'s in parentheses