Pa. Droege et al., STRUCTURE OF ZINC TETRAPHENYLPORPHYRIN DIMETHYL FORMAMIDE METHYLENE-CHLORIDE, Journal of chemical crystallography, 24(2), 1994, pp. 111-116
C48H37N5ZnOCl2, M(r) = 836.13, triclinic, P1BAR, a = 11.2231(15), b =
12.5155(18), c = 14.6013(19)angstrom, alpha, = 99.001(7), beta = 94.60
0(8), gamma = 103.221(7)degrees, V = 1957.6(5) angstrom3, Z = 2, D(x)
= 1.419 gcm-3, MoKalpha (lambda = 0.7107 angstrom), mu(calc) = 13.4 cm
-1, F(000) = 1670, T = 173 +/- 1K, final discrepancy factor 2.8 % for
5274 unique reflections above 2.5 sigma(I) in the range 3 < 2theta < 4
8-degrees. The metal is coordinated to the four nitrogen atoms of the
porphyrin ring and the oxygen of the dimethyl formamide moiety. The ge
ometry of this porphyrin is nonplanar with respect to the overall stru
cture, although the pyrrole rings are nearly coplanar with the zinc me
tal pulled out of the plane in the familiar domed-shaped geometry.