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Synthesis, crystal structure and computational chemistry research of a Zinc(II) complex: [Zn(Pt)(Biim)2]

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Author(s): Teng Fei | Jiang Nan | Wang Zhonghui | Cui Yuncheng | Wang Jiajun

Journal: Journal of the Serbian Chemical Society
ISSN 0352-5139

Volume: 77;
Issue: 2;
Start page: 177;
Date: 2012;
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Keywords: 2 | 2’-biimidazole | phthalic acid | zinc(II) complex | crystal structure | quantum chemistry

ABSTRACT
The title metal-organic coordination complex [Zn(pt)(Biim)2] (pt=phthalic acid, benzene-1,2-dicarboxylate, Biim=2,2'-biimidazole) 1 has been obtained by using hydrothermal synthesis and characterized by single-crystal X-ray diffraction. The complex crystallizes in monoclinic, space group P21/n with a = 8.5466(15) Å, b = 11.760(2) Å, c = 20.829(4) Å, β = 95.56(2)º, V = 2083.5(6) Å3, Mr =497.78, Dc = 1.587 g/cm3, μ(MoKα) = 1.226 mm−1, F(000) = 1016, Z = 4, the final R = 0.0564 and wR = 0.1851 for 3656 observed reflections (I > 2σ(I)). The elemental analysis, IR, TG and the theoretical calculation were also investigated.
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