Crystal structure of [3,7,11,18,22,26-hexaazatricyclo[26.2.2.2^13,16]- tetratriaconta-1(31),13(34),14,16(33),28(32),29-hexaene]dinickel tetrachloride- methanol -water (1:1:1), Ni₂(C₂₈H₄₆N₆)Cl₄ · CH₃OH · H₂O

Abstract

Source of materialAn chloroform solution of 3,7,11,18,22,26-hexaazatricyclo-[26.2.2.2 13,16 ]tetratriaconta-1(31), 13(34),14,16(33),28(32),29-hexaene (0.1 mmol) was added to as olution of nickel chloride (0.2 mmol) in methanol (5 ml). Then ag reen solution was obtained. The green crystals were obtained by evaporating the solution at room temperature for several days. Experimental detailsAll hydrogen on Catoms were generated geometrically and refined as riding atoms with d(C-H) =0.93 -0.97Å and U iso(H) = 1.2 or 1.5 U eq (C). The imido group Hatoms were located from difference Fourier map and were freely refined. The atoms C15 and O1 are disordered. The disordered atoms were included in the refinement anisotropically to give occupations of about 50 %. The hydrogen atoms associated with the water molecules were not found from the difference Fourier maps. DiscussionCurrently, the molecular recognition of macrocyclic polyamines is an area of intense chemical investigation with potential applications in areas such as the designing of positively charged or electron-deficient neutral abiotic organic receptor molecules [1][2][3].Moreover, hexaaza macrocycles can form dinuclear metal complexes which in turn are capable to coordinate anions [4]. The crystal structure of the title compound is formed by discrete molecules. The nickel cation is five-coordinated by two chlorine atoms and three Na toms from the Ll igand in at etragonalpyramidal coordination. Ni1, N2, N3, Cl1 and Cl2 atoms are almost coplanar and the bond angle sum about nickel is 356.6°. Ni1-Cl1 and Ni1-Cl2 distances are 2.347(1) Å and 2.439(1) Å, respectively. The mean Ni-Ndistance in the title compound is 2.066 Å.The methanol and water molecules do not coordinate the nickel center.