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A new zirconium phthalocyanine complex [ZrI2(Pc){C6H4(CN)2}] (Pc = C32H16N8) was obtained in crystalline form by the reaction of zirconium with 1,2-dicyanobenzene (o-DCB) under a stream of iodine. The molecule is a reaction product of zirconium, iodine atoms and o-DCB molecules, four of which form the Pc macrocycle. The crystal structure of this compound consists of discrete molecules in which seven-coordinate Zr(IV) is surrounded by four N atoms of the phthalocyaninato ligand, two cis-iodide atoms and an N atom from one of the cyano groups of the fifth o-DCB molecule. A set of hydrogen-bonded interactions links the molecules in the crystal lattice.

Supporting information

cif

Crystallographic Information File (CIF)
Contains datablocks text, global

fcf

Structure factor file (CIF format)
Contains datablock zr

CCDC reference: 129967

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