Synthesis and Structural Characterization of Cu(pic)_2[CO(NH_2)_2]_2 and (picH_2)_2[Cu(pic)_2(SCN)_2

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Two new compounds Cu(pic)2[CO(NH2)2]2 1 and (picH2)2[Cu(pic)2(SCN)2] 2 were prepared from the reaction of picolinic acid and copper(II) per-chlorate by using carbamide to adjust pH = 4 in the preparation of compound 1 and KSCN to adjust pH = 6 in the preparation of 2. Crystal data for 1: monoclinic system, space group P21/n with a = 7.441(1), b = 14.291(2), c = 7.790(1) ? b = 95.855(2), V = 824.0(2) ?, Dc = 1.724 g/cm3, F(000) = 438, C14H16N6O6Cu, Mr = 427.87, m(MoKa) = 1.375 mm-1, Z = 2 and the final R = 0.0365 for 1164 observed reflections. Crystal data for 2: monoclinic system, space group P21/c with a = 9.8237(3), b = 10.0409(3), c = 14.5867(2) ? b = 104.190(2), V = 1394.91(6) ?, Dc = 1.595 g/cm3, F(000) = 686, C26H20N6O8S2Cu, Mr = 672.14, m(MoKa) = 0.994 mm-1, Z = 2 and the final R = 0.0442 for 1651 observed reflections. The Cu(II) atom in both 1 and 2 has a 4+2 elongated octahedral environment with the pic ligands locating on the equatorial plane, and carbamide and SCN occupying the axial sites, respectively. In compound 2, there also exist two protonated picolinate cations for charge balance. Two new compounds Cu (pic) 2 [CO (NH2) 2] 2 1 and (picH2) 2 [Cu (pic) 2 (SCN) 2] 2 were prepared from the reaction of picolinic acid and copper (II) per- chlorate by using carbamide to adjust pH = 4 in the preparation of compound 1 and KSCN to adjust pH = 6 in the preparation of 2. Crystal data for 1: monoclinic system, space group P21 / n with a = 7.441 (1), b = 14.291 2 c = 7.790 1 b = 95.855 2 V = 824.0 2 Dc = 1.724 g / cm3 F000 = 438 C14H16N6O6Cu Mr = 427.87 m MoKa ) = 1.375 mm-1, Z = 2 and the final R = 0.0365 for 1164 observed reflections. Crystal data for 2: monoclinic system, space group P21 / c with a = 9.8237 (3), b = = 14.5867 (2)? B = 104.190 (2) V = 1394.91 (6)? Dc = 1.595 g / cm3 F000 = 686 C26H20N6O8S2Cu Mr = 672.14 m MoKa = 0.994 mm-1 , Z = 2 and the final R = 0.0442 for 1651 observed reflections. The Cu (II) atom in both 1 and 2 has a 4 + 2 elongated octahedral environment with the pic ligands locating on the equatorial plane, and carbamide and SCN occupying the axial sites, respectively. In compound 2, there are two protonated picolinate cations for charge balance.
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