CRYSTAL STRUCTURES OF [Ni(en)2(N02)]Cl (I) AND [cis-β-Ni(trien)(NO2)]ClO4 (II)

Abstract

Compound (I) [Ni(en)2(NO2)]Cl, NiC4ClH16N5O2, has been synthesized and its crystal structure determined at 100 K. This compound crystallizes from a deionized water solution at 25°C. in the orthorhombic system space group Fdd2 (No. 43) with lattice constants: a = 18.219(3), b = 8.841(2), c = 12.924(1)Å, V = 2081.6(5)Å3 and MW = 260.37, Z = 8 d = 1.662mgm−3. A total of 3239 data were recorded over the range of 4° ≤ 2θ ≤ 60° of these, 3086 (unique and with I > l[sgrave](I)) were used in the structural analysis. Data were corrected for absorption. The final discrepancies in the refinement of the structure are RF = 0.057 and Rw = 0.072. Compound (II) [Ni(trien)(NO2)]C104, NiC6ClH18N5O6, has been synthesized and its crystal structure determined at room temperature. This compound crystallizes from a deionized water solution at 25°C, in the monoclinic system space group P21/n (No. 14) with lattice constants: a = 8.934(3), b = 12.705(8), c = 12.522(9)Å, β = 90.33(4), V = 1421.4(14)Å3 MW = 350.40, Z = 4, d = 1.637mgm−3. A total of 4367 data were collected over the range of 4° ≤ 2θ ≤ 60° of these, 4131 (unique and with I > 2.5[sgrave](I)) were used in the structural analysis. Data were corrected for absorption. The final refinement of the structure produced discrepancies of RF = 0.041 and Rw = 0.044.