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Redox reaction of a mixture of CuCl2·2H2O, H3PO3 and dpatrz(3,5-dipropyl-4-amino-1,2,4-triazole) at room temperature yields one new compound, [Cu(Ⅰ)(μ2-dpatrz)2Cu(Ⅰ)Cl2], with two independent cis- and trans-propyl side chain molecules. Compound 1 crystallizes in monoclinic, space group P21/c with a = 7.474(1), b = 17.807(1), c = 18.851(1) , β = 108.32(1)o, V = 2381.7(2) 3, Z = 4, C16H32Cl2Cu2N8, Mr = 534.48, Dc = 1.491 g·cm-3, μ = 2.03 mm-1, F(000) = 1104, GOOF = 1.050, the final R = 0.0445 and w R = 0.1162 for 3162 observed reflections(Ⅰ > 2δ(Ⅰ)). Compound 1 shows discrete dimeric structures(A and B) containing inversion centers and the Cu(Ⅰ) ions are coordinated in triangle geometries. The isomers are connected by N–H···Cl hydrogen bonds, chains with graph-set C(7) and rings R22(14) and C–H···π interactions into stair-step chains(Tapes A and B) running parallel to the [01–1] direction. The N–H···Cl hydrogen bonds result in chain and cyclic structures with graph-sets C22(17) and R34(18) linking tapes A and B to form two-dimensional networks along the [031] direction. Packing of crystal 1 is stabilized by rings R34(18) and weak C–H···Cl hydrogen bonds parallel to the [01–2] direction. Bond valence sum(BVS) and UV-Vis absorption spectra support the existence of Cu(Ⅰ) ions. Compound 1 exhibits extensive green blue phosphorescence in the solid state at room temperature.
Redox reaction of a mixture of CuCl2 · 2H2O, H3PO3 and dpatrz (room-temperature temperature one new compound, [Cu (I) (μ2-dpatrz) Compound 1 crystallizes in monoclinic, space group P21 / c with a = 7.474 (1), b = 17.807 (1), c = 18.851 1) , β = 108.32 (1) o, V = 2381.7 (2) 3, Z = 4, C16H32Cl2Cu2N8, Mr = 534.48, Dc = 1.491 g · cm-3, μ = 2.03 mm-1, ) = 1104, GOOF = 1.050, the final R = 0.0445 and w R = 0.1162 for 3162 observed reflections (Ⅰ> 2δ (Ⅰ)). Compound 1 shows discrete dimeric structures (A and B) ) ions are coordinated in triangle geometries. The isomers are connected by N-H ··· Cl hydrogen bonds, chains with graph-set C (7) and rings R22 (14) and C-H ··· π interactions into stair- step chains (Tapes A and B) running parallel to the [01-1] direction. The N-H ··· Cl hydrogen bonds result in chain and cyclic stru Ctures with graph-sets C22 (17) and R34 (18) linking tapes A and B to form two-dimensional networks along the [031] direction. Packing of crystal 1 is stabilized by rings R34 (18) and weak C-H · Bond valence sum (BVS) and UV-Vis absorption spectra support the existence of Cu (I) ions. Compound 1 exhibits extensive green blue phosphorescence in the solid state at room temperature.