Four crystal structures of the title complexes have
been analyzed by X-ray crystallography. 1:
C80H68N17Nd,
a
= 17.0545(6) Å, c = 22.807(3) Å, tetragonal,
P4/ncc, Z = 4. 2:
C80H68N17Gd, a =
17.399(8) Å, c = 11.377(6)
Å, tetragonal, P4212, Z = 2.
3:
C80H70N17OHo, a =
18.096(5) Å, c = 11.079(6) Å, tetragonal,
P4212, Z = 4.
4:
C80H70N17OLu, a =
18.171(3) Å, c = 10.987(4) Å, tetragonal,
P4/nmm, Z = 2. The
[LnIIIPc2]- and
[NBu
n
4]+
ions in each crystal stack alternately in a column along the 4-fold
axis. The Ln(III) cation of each
[LnIIIPc2]-
is
eight-coordinated by two phthalocyanato dianions (Pc). The
interplanar distances between the two Pc rings have
a linear relationship to the ionic radii of the central Ln(III)
cations. The skew angles between the two Pc rings
are 6.2, 34.4, 43.2, and 45.0° for the Nd, Gd, Ho, and Lu complexes,
respectively. The skew angle seems to
depend on the strength of the π−π interaction between the two Pc
rings.