B. Kaitner et E. Mestrovic, A MONOCLINIC POLYMORPH OF TRIS(1,3-DIPHENYLPROPANE-1,3-DIONATO)-COBALT(III), Zeitschrift fur Kristallographie, 210(12), 1995, pp. 952-955
There is essential stereochemical difference between the molecules of
the monoclinic and triclinic polymorph of tris (1,3-diphenylpropane-1,
3-dionato)-cobalt(III), C45H33CoO6. The monoclinic form crystallizes w
ith the space group P2(1)/c. The crystal data are: a = 17.257(4) Angst
rom, b = 9.951(2) Angstrom, c = 20.786(5) Angstrom, beta = 92.73(2)deg
rees, V = 3565(1) Angstrom(3), Z = 4, lambda(MoKalpha) = 0.7107 Angstr
om, mu(MoKalpha) = 0.53 mm(-1), D-x = 1.358 g cm(-3). The structure wa
s solved by the heavy-atom method. The structure was refined by full-m
atrix least-squares technique with terminal phenyl rings taken as idea
l hexagons to R = 0.050 for 3652 unique reflections. Only very weak in
termolecular attraction forces keep the individual molecules together
and the contacts between neighboring molecules correspond to the norma
l van der Waals interactions. The cobalt environment is a distorted oc
tahedron with Co-O bond lengths ranging from 1.872(3) Angstrom to 1.89
7(3) Angstrom. The rotation of the terminal phenyl rings in relation t
o the chelate plane depends on the intramolecular steric hindrances an
d the tendency of the ligand to achieve planarity as a delocalized pi-
electron system.