Abstract
In the title compound, [Cu(C76H92N4O4)], the central Cu(II) ion is situated on an inversion centre. The porphyrinate core exhibits a nearly planar conformation [maximum deviation = 0.027 (3) Å], with Cu—N distances of 1.997 (2) and 2.001 (2) Å. The benzene rings of the 4-octyloxyphenyl groups are rotated at angles of 84.02 (8) and 77.02 (6)° with respect to the mean plane of the porphyrin fragment. The two terminal C atoms in the octyl group are disordered over two positions of equal occupancy.
Highlights
In the title compound, [Cu(C76H92N4O4)], the central Cu(II) ion is situated on an inversion centre
The benzene rings of the 4-octyloxyphenyl groups are rotated at angles of 84.02 (8) and 77.02 (6) with respect to the mean plane of the porphyrin fragment
The two terminal C atoms in the octyl group are disordered over two positions of equal occupancy
Summary
Key indicators: single-crystal X-ray study; T = 185 K; mean (C–C) = 0.004 A; disorder in main residue; R factor = 0.050; wR factor = 0.124; data-to-parameter ratio = 14.1. The benzene rings of the 4-octyloxyphenyl groups are rotated at angles of 84.02 (8) and 77.02 (6) with respect to the mean plane of the porphyrin fragment. The two terminal C atoms in the octyl group are disordered over two positions of equal occupancy. Related literature For general background to porphyrin species and their applications, see: Holten et al (2002); Gust & Moore (1985); Gunter & Johnston (1992); Anderson & Sanders (1995). Crystal data [Cu(C76H92N4O4)] Mr = 1189.08 Monoclinic, P21=c a = 16.0521 (16) Ab = 19.2628 (18) Ac = 10.4767 (10) A = 90.024 (2)
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