Abstract We report the synthesis and spectroscopic characterization of the first organotin(IV) complexes with cyclic seven-membered dithiocarbamate ligands: the azepane-1-carbodithioate and the homopiperazine-1,4-bis-carbodithioate with two different organotin entities, di-n-butyltin and tri-cyclohexyltin: [(C4H9)2Sn{S2CN(CH2)6}2] (3), [(C6H11)3Sn{S2CN(CH2)6}] (4), and [(C6H11)3Sn}2 (μ-S2CN(C5H10)NCS2)] (5). Compounds (3–5) are air-stable both in solid-state and in solution, and were characterized by elemental analyses, IR, FAB+–MS, and multinuclear NMR (1H, 13C, and 119Sn) spectroscopy. Their molecular structures were unambiguously established by single-crystal X-ray diffraction studies. The geometrical arrangement around the tin atom can be described as distorted octahedral for (3) and distorted trigonal bipyramid for (4) and (5). The coordination mode for both ligands is considered as asymmetric bidentate, as happens in other organotin(IV) dithiocarbamates. Furthermore, (4) and (5) do not exhibit intermolecular secondary interactions, while (3) presents intermolecular interactions between the tin and a sulfur atom with the reciprocally neighboring molecule, giving rise to a zig-zag polymeric structure. Graphical Abstract

中文翻译：

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有机锡 (IV) 氮杂二硫代氨基甲酸酯：第一个有机锡 (IV) 与七元环状二硫代氨基甲酸酯配合物的合成和表征

摘要 我们报告了第一个具有环状七元二硫代氨基甲酸酯配体的有机锡 (IV) 配合物的合成和光谱表征：azepane-1-carbodithioate 和 homopiperazine-1,4-bis-carbodithioate 与两种不同的有机锡实体 di-n -丁基锡和三环己基锡：[(C4H9)2Sn{S2CN(CH2)6}2](3)、[(C6H11)3Sn{S2CN(CH2)6}](4)和[(C6H11)3Sn}2 (μ-S2CN(C5H10)NCS2)] (5)。化合物 (3-5) 在固态和溶液中都是空气稳定的，并通过元素分析、IR、FAB+-MS 和多核 NMR（1H、13C 和 119Sn）光谱进行表征。它们的分子结构是通过单晶 X 射线衍射研究明确确定的。锡原子周围的几何排列可以描述为（3）的扭曲八面体和（4）和（5）的扭曲三角双锥。两个配体的配位模式被认为是不对称双齿，就像在其他有机锡 (IV) 二硫代氨基甲酸酯中一样。此外，(4) 和(5) 不表现出分子间次级相互作用，而(3) 则在锡和硫原子与相互相邻的分子之间存在分子间相互作用，从而产生锯齿形聚合物结构。图形概要