Molecular and Supramolecular Structures of a Nickel(Ⅱ) Complex with a Macrocyclic Ligand

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The crystal structure of the title complex, [NiL], has been determined by using X-ray analysis (H2L = 2,3-dioxo-5,6:13,14-dibenzo-7,12-bis(methoxycarbonyl)-1,4,8,11-tetraazacyclotetra- deca-7,11-diene). Crystal data: C22H18N4O6Ni, Mr = 493.11, triclinic, space group P, a = 9.128(6), b = 9.941(7), c = 12.396(8) ? a = 107.11(1), b = 106.14(1), g = 97.69(1), V = 1003.9(11) 3, Z = 2, Dc = 1.631 g/cm3, m(MoKa) = 1.018 mm-1, F(000) = 508, R = 0.0584 and wR = 0.0981 for 1724 observed reflections with I > 2s(I). The Ni(II) atom is coordinated by four nitrogen donors of the macrocyclic ligand with a slightly distorted square-planar geometry. In the crystal, the CH…O hydrogen bonds link the complex molecules to form infinite 1D chains which are further linked by p…p stacking interactions to form chain-pairs. The crystal structure of the title complex, [NiL], has been determined by using X-ray analysis (H2L = 2,3-dioxo-5,6: 13,14- dibenzo-7,12- bis , 4,8,11-tetraazacyclotetra-deca-7,11-diene. Crystal data: C22H18N4O6Ni, Mr = 493.11, triclinic, space group P, a = 9.128 (6), b = 9.941 (7), c = 12.396 A = 107.11 (1), b = 106.14 (1), g = 97.69 (1), V = 1003.9 (11) 3, Z = 2, Dc = 1.631 g / cm3, m (MoKa) = 1.018 The Ni (II) atom is coordinated by four nitrogen donors of the macrocyclic ligand with a slightly distorted (mm), F (000) = 508, R = 0.0584 and wR = 0.0981 for 1724 observed reflections with I> 2s (I) square-planar geometry. In the crystal, the CH ... O hydrogen bonds link the complex molecules to form an infinite 1D chains which are further linked by p ... p stacking interactions to form chain-pairs.
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