Crystal Structure of [1¹,1⁴,1⁷,1¹⁰,5¹,5⁴,5⁷,5¹⁰-Octaaza-1,5(1,4)-dicyclododecana-3,7(1,3)-dibenzenacyclooctaphane]zinc(II) tetrakis(nitrate), [m,m-bis(Zn^II-cyclen)](NO₃)₄

Abstract

The crystal structure of [1¹,1⁴,1⁷,1¹⁰,5¹,5⁴,5⁷,5¹⁰-octaaza-1,5(1,4)-dicyclododecana-3,7(1,3)-dibenzenacyclooctaphane]zinc(II) tetrakis(nitrate), [m,m-bis(Zn^II-cyclen)](NO₃)₄·4H₂O was determined by the single-crystal X-ray diffraction method at 93.15 K. The titled complex crystallized in the trigonal space group P3₁21 and Z = 3 with a = 8.97880(10), c = 44.4258(6)Å, and V = 3101.72(8)ų. The R₁ [I > 2σ(I)] and wR₂ (all data) values were 0.0250 and 0.0623, respectively, for all 3323 independent reflections. In the crystal structure, the Zn^II center is coordinated with two secondary amines, two tertiary amines, and nitrate to form a square pyramidal geometry. Two nitrate anions were coordinated with the respective Zn^II. The hydrogen bond network between the nitrate anion and water connects each m,m-bis(Zn^II-cyclen) complex.