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Polymeric and mixed carboxylate compounds: Crystal structure of [Zn(tiglate)0.54 (benzoate)1.46]x

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Abstract

The crystal structure of [Zn(O2CC(CH3)CHCH3)0.54(O2CC6H5)1.46]x has been determined by single crystal X-ray diffraction. The compound crystallizes in the monoclinic system, space group P21/c witha=10.311(1),b=13.170(1),c=19.000(2) Å,β=91.895(7)°,V=2578.7 Å3,Z=4,D x=1.525g cm−3, λ(Mo Kα)=0.71073 Å,μ=1–95 mm−1, F(000)=1206,T=295K,R=0.046 for 4548 unique reflections. The two different carboxylates are randomly scrambled along a one dimensional polymer, made up of binuclear units connected by a syn-anti carboxylate bridge. Each binuclear unit contains three syn-syn carboxylates which bridge two zinc atoms. Vibrational data indicate that [Zn(O2CC(CH3)CHCH3)2]x has the same polymeric structure; orientation of tiglate is the same as for the mixed ligand compound. Recrystallization of mixed carboxylate species produces either an alteration in carboxylate ligand ratio, or a total separation of the two carboxylates, giving two different compounds.

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Clegg, W., Harbron, D.R. & Straughan, B.P. Polymeric and mixed carboxylate compounds: Crystal structure of [Zn(tiglate)0.54 (benzoate)1.46]x . Journal of Crystallographic and Spectroscopic Research 20, 17–22 (1990). https://doi.org/10.1007/BF01181670

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