Crystal Structure and Spectroscopic Properties of [Ni(phen)_3]Pic_2·2CH_3CN

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The crystal structure of the title complex having the stoichiometric formula [Ni|(phen) 3]Pic 2·2CH 3CN (Pic=picrate anion; phen=1,10|phenanthroline) has been determined by single-crystal X-ray diffraction. The crystal (C 52 H 34 N 14 O 14 Ni, M r=1137.63) belongs to the triclinic system, space group P1(#2) with the following crystallographic parameters: a = 14^130(1), b=15^256(3), c=13.673(2); α=109.11(1), β =90.92(4), γ=66.75(3)°; V=2537^72 3, D c=1.489g/cm 3, μ(MoKα)=4.66cm -1 , F(000)=1168, Z=2, and final R=0.062 and R w=0.078 for 4917 observed reflections (I>2.00σ(I)). The analytical results of crystal structure and spectroscopic properties show that nickel(II) cation coordination environment is a distorted octahedral geometry, the Ni 2+ ion is coordinated with six nitrogen atoms~ of three phen directly, while two picrate anions and two acetonitrile molecules do not take part in coordination~. The crystal structure of the title complex has the stoichiometric formula [Ni | (phen) 3] Pic 2 · 2CH 3CN (Pic = picrate anion; phen = 1,10 | phenanthroline) has been determined by single-crystal X The crystal (C 52 H 34 N 14 O 14 Ni, M r = 1137.63) belongs to the triclinic system, space group P1 (# 2) with the following crystallographic parameters: a = 14 ^ 130 b = 15 256 (3), c = 13.673 (2) ; α = 109.11 (1), β = 90.92 (4), γ = 66.75 (3) °;  3, D c = 1.489 g / cm 3, μ (MoKα) = 4.66 cm -1, F (000) = 1168, Z = 2, and final R = 0.062 and R w = 0.078 for 4917 observed reflections (I> 2.00σ (I)). The analytical results of crystal structure and spectroscopic properties show that nickel (II) cation coordination environment is a distorted octahedral geometry, the Ni 2+ ion is coordinated with six nitrogen atoms ~ of three phen directly, while two picrate anions and two acetonitrile molecules do not take part in coordination ~.
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