G. Giuseppetti et al., THE CRYSTAL-STRUCTURE AND DISORDER IN TETRAPROPYLAMMONIUM TETRAFLUOROBORATE, (N-C3H7)(4)NBF4, Zeitschrift fur Kristallographie, 212(5), 1997, pp. 367-371
M-r = 273.164, orthorhombic, P2(1)2(1)2(1), a = 12.075(2) Angstrom, b
= 13.694(2) Angstrom, c = 9.610(1) Angstrom, V = 1589(3) Angstrom(3),
Z = 4, D-x = 1.141, D-m = 1.115 g cm(-3), lambda(MoKa) = 0.7107 Angstr
om, mu = 0.91 cm(-1), F(000) = 592, R = 0.049 for 717 unique reflectio
ns with I > 2 sigma(I). The interaction compound is formed by the tetr
apropylammonium cation and the tetrafluoroborate anion. The remarkable
features of this crystal at room temperature are: i) the non centrosy
mmetric structure; ii) the ordered distribution of the fluoroborate te
trahedra, also confirmed by NMR measurements, iii) the partial disorde
r of the n-propylammonium cations, which are statistically arranged in
two orientations symmetrical to a mirror plane.