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The crystal structure of the title complex with the stoichiometric formula Cu(PTA)(Phen)2 ( p-MBA)(H2O) (Phen=1,10-phenanthroline, PTA=terephthalic acid, p-MBA=p-toluic acid) has been determined by single-crystal X-ray diffraction. The crystal (C48H40CuN4O10, Mr=896.38) belongs to the monoclinic space group C2/c, with the following crystallographic parameters: a=1.778 6(3) nm, b=1.912 5(3) nm, c=1.389 9(2) nm, β=114.686(2)°, V=4.295 7(12) nm3, Dc=1.386 g·cm-3, Z=4, μ(Mo Kα)=0.574 mm-1, F(000)=1 860, final GooF=1.019, R=0.054 0, wR=0.148 3 for 2 644 observed reflections (I>2σ(I)). The crystal structure shows that the copper?髤 ion is coordinated with two oxygen atoms from one terephthalic acid molecule and four nitrogen atoms from two 1,10-phenanthroline molecules, forming a distorted octahedral coordination geometry. The cyclic voltametric behavior of the complex is also reported. CCDC: 298809.
The crystal structure of the title complex with the stoichiometric formula Cu (PTA) (Phen) 2 (p-MBA) (H 2 O) (Phen = 1,10-phenanthroline, PTA = terephthalic acid, p-MBA = p- toluic acid) The crystal (C48H40CuN4O10, Mr = 896.38) belongs to the monoclinic space group C2 / c with the following crystallographic parameters: a = 1.778 6 (3) nm, b = 1.912 5 (3) nm, c = 1.389 9 (2) nm, β = 114.686 (2) °, V = 4.295 7 (12) nm3, Dc = 1.386 g · cm-3, 0.574 mm-1, F (000) = 1 860, final GooF = 1.019, R = 0.054 0, wR = 0.148 3 for 2 644 observed reflections (I> 2σ (I)). ion is coordinated with two oxygen atoms from one terephthalic acid molecule and four nitrogen atoms from two 1,10-phenanthroline molecules, forming a distorted octahedral coordination geometry. The cyclic voltametric behavior of the complex is also reported. CCDC: 298809.