A One-dimensional Cd(Ⅱ) Coordination Polymer Constructed from 1,4-Benzene-dicarboxylic Acid and 3-(2

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A new coordination polymer {[Cd(C_(21)H_(14)N_6)(C_8H_4O_4)]·H_2O}_n(1) was synthesized by an elaborate design via the reaction of 3-(2,6-di(pyrazin-2-yl)pyridin-4-yl)-1H-indole(bppi),1,4-benzene-dicarboxylic acid(H2bdc) and cadmium(Ⅱ) nitrate in CH_3OH/H_2O mixed solvents. Complex 1 crystallizes in orthorhombic,space group Ccca with a = 20.012(4),b = 31.881(6),c = 19.808(4) ?,V = 12638(4) ?~3,Z = 16,C_(29)H_(20)CdN_6O_5,M_r = 644.91,D_c = 1.356 g·cm~(-3),μ = 0.735 mm~(-1),F(000) = 5184,GOOF = 1.046,the final R = 0.0405 and wR = 0.1063 for 6870 observed reflections(I > 2σ(I)). The Cd(Ⅱ) centre is hepta-coordinated by three N and four O atoms from one bppi terminal ligand and two bdc2– ligands,respectively,displaying a capped trigonal prism geometry. Structure extension gives coordination polymeric chains,in which the bdc2– linkers connect Cd(Ⅱ) cations into a one-dimensional(1D) coordination polymer along the c axis,giving zigzag chains with the Cd···Cd separation of 11.178(1) ?. The adjacent bppi terminal ligands in the chains are anti-periplanar conformation. The three-dimensional(3D) structure is stabilized by π···π stacking and hydrogen-bonding interactions to form a supramolecular self-penetrating network with 1D channels. In 1,there are voids 2999.7 ?~3 with 23.7% of per unit cell volume. Thermal analysis indicates that the framework of 1 is stable until 651 K and the photoluminescence of 1 in the solid shows very weak fluorescence at 382 and 560 nm upon excitation at 310 nm. A new coordination polymer {[Cd (C_ (21) H_ (14) N_6) (C_8H_4O_4)] H_2O} _n (1) was synthesized by an elaborate design via the reaction of 3- 2-yl) pyridin-4-yl) -1H-indole (bppi), 1,4-benzene-dicarboxylic acid (H2bdc) and cadmium (Ⅱ) nitrate in CH_3OH / H_2O mixed solvents. Complex 1 crystallizes in orthorhombic space group Ccca with a = 20.012 (4), b = 31.881 (6), c = 19.808 (4) ?, V = 12638 (4)? ~ 3, Z = 16, C 29 H 20 CdN 6 O 5, M_r = 644.91, D_c = 1.356 g · cm -3, μ = 0.735 mm -1, F (000) = 5184, GOOF = 1.046, the final R = 0.0405 and wR = 0.1063 for 6870 observed reflections (I > 2σ (I)). The Cd (II) center is hepta-coordinated by three N and four O atoms from one bppi terminal ligand and two bdc2-ligands, respectively, displaying a capped trigonal prism geometry. , in which the bdc2-linkers connect Cd (Ⅱ) cations into a one-dimensional (1D) coordination polymer along the c axis, giving zigzag chains with the Cd ··· Cd separation of 1 The three-dimensional (3D) structure is stabilized by π ··· π stacking and hydrogen-bonding interactions to form a supramolecular self-penetrating network with 1D channels. In 1, there are voids 2999.7 ~ 3 with 23.7% of per unit cell volume. Thermal analysis indicates that the framework of 1 is stable until 651 K and the photoluminescence of 1 in the solid shows very weak fluorescence at 382 and 560 nm upon excitation at 310 nm.
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