Hydrothermal Synthesis and Crystal Structure of a Novel Hexanuclear Copper(Ⅱ) Complex:[Cu_6(DPPZ)_4(

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A new hexanuclear copper(Ⅱ) complex,[Cu 6 (DPPZ) 4 (btc) 4 (H 2 O) 8 ]·5H 2 O (1,DPPZ=dipyrido[3,2-a:2,3-c]phenazine,H 3 btc=1,3,5-benzenetricarboxylic acid),has been hydrothermally synthesized and structurally characterized by X-ray single-crystal diffraction,elemental analyses,IR,and thermogravimetric analysis.Its crystal structure is of triclinic system,space group P1 with a=12.489(4),b=14.234(5),c=14.484(5),α=82.848(4),β=79.399(4),γ=73.646(4)°,V=2421.2(13) 3,Z=1,Cu 6 C 108 H 78 N 16 O 37,M r=2573.17,D c=1.752 g/cm 3,μ=1.398 mm-1,F(000)=1308,GOOF=1.011,the final R=0.0495 and wR=0.1030 for 5420 observed reflections with I > 2σ(Ⅰ).In 1,four btc 3ligands act as bridges between six neighboring Cu atoms to form an unusual hexanuclear copper cluster.The clusters are further connected by two types of O-H···O and O-H···N hydrogen bonds,generating a three-dimensional supramolecular structure.In addition,intermolecular and intramolecular π-π stacking interactions further consolidate the three-dimensional supramolecular framework of 1. A new hexanuclear copper (Ⅱ) complex, [Cu 6 (DPPZ) 4 (btc) 4 (H 2 O) 8] · 5H 2 O (1, DPPZ = dipyrido [3,2-a: 2,3-c] phenazine, H 3 btc = 1,3,5-benzenetricarboxylic acid), has been hydrothermally synthesized synthetically and structurally characterized by X-ray single-crystal diffraction, elemental analyzes, IR, and thermogravimetric analysis. Its crystal structure is of triclinic system, space group P1 with a = 12.489 (4), b = 14.234 (5), c = 14.484 (5) , α = 82.848 (4), β = 79.399 (4), γ = 73.646 (13) 3, Z = 1, Cu 6 C 108 H 78 N 16 O 37, M r = 2573.17, D c = 1.752 g / cm 3, μ = 1.398 mm -1, F (000) = 1308, GOOF = 1.011, the final R = 0.0495 and wR = 0.1030 for 5420 observed reflections with I> 2σ (I) .In 1, four btc 3ligands act as bridges between six neighboring Cu atoms to form an unusual hexanuclear copper cluster.The clusters are further connected by two types of OH ··· O and OH ··· N hydrogen bonds, generating a three-dimensional supramolecular structure. In addition, intermolecular and intramolecular π-π stacking interactions furt her consolidate the three-dimensional supramolecular framework of 1.
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