Synthesis, decomposition studies and crystal structure of a three-dimensional CuCN network structure with protonated N-methylethanolamine as the guest cation.,Acta Crystallographica Section C

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Synthesis, decomposition studies and crystal structure of a three-dimensional CuCN network structure with protonated N-methylethanolamine as the guest cation.
Acta Crystallographica Section C ( IF 0.7 ) Pub Date : 2020-04-17 , DOI: 10.1107/s2053229620004477
Christopher Koenigsmann ₁ , Leena N Rachid ₁ , Christina M Sheedy ₁ , Peter W R Corfield ₁

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The compound poly[2-hydroxy-N-methylethan-1-aminium [μ3-cyanido-κ3C:C:N-di-μ-cyanido-κ4C:N-dicuprate(I)]], {(C3H10NO)[Cu2(CN)3]}n or [meoenH]Cu2(CN)3, crystallizes in the tetragonal space group P43. The structure consists of a three-dimensional (3D) anionic CuICN network with noncoordinated protonated N-methylethanolamine cations providing charge neutrality. Pairs of cuprophilic Cu atoms are bridged by the C atoms of μ3-cyanide ligands, which link these units into a 43 spiral along the c axis. The spirals are linked together into a 3D anionic network by the two other cyanide groups. The cationic moieties are linked into their own 43 spiral via N-H...O and O-H...O hydrogen bonds, and the cations interact with the 3D network via an unusual pair of N-H...N hydrogen bonds to one of the μ2-cyanide groups. Thermogravimetric analysis indicates an initial loss of the base cation and one cyanide as HCN at temperatures in the range 130-250 °C to form CuCN. We show how loss of a specific cyanide group from the 3D CuCN structure could form the linear CuCN structure. Further heating leaves a residue of elemental copper, isolated as the oxide.

中文翻译：

以质子化N-甲基乙醇胺为客体阳离子的三维CuCN网络结构的合成、分解研究及晶体结构。

化合物聚[2-羟基-N-甲基乙烷-1-胺[μ3-氰基-κ3C:C:N-二-μ-氰基-κ4C:N-二铜酸盐(I)]], {(C3H10NO)[Cu2( CN)3]}n 或 [meoenH]Cu2(CN)3，在四方空间群 P43 中结晶。该结构由三维 (3D) 阴离子 CuICN 网络和提供电荷中性的非配位质子化 N-甲基乙醇胺阳离子组成。成对的亲铜铜原子通过 μ3-氰化物配体的 C 原子桥接，将这些单元沿 c 轴连接成 43 螺旋。这些螺旋通过另外两个氰化物基团连接在一起形成 3D 阴离子网络。阳离子部分通过 NH...O 和 OH...O 氢键连接成自己的 43 螺旋，并且阳离子通过一对不寻常的 NH...N 氢键与 μ2 之一与 3D 网络相互作用-氰化物基团。热重分析表明，在 130-250 °C 的温度范围内，碱性阳离子和一种氰化物以 HCN 的形式初始损失，形成 CuCN。我们展示了 3D CuCN 结构中特定氰化物基团的损失如何形成线性 CuCN 结构。进一步加热留下元素铜残留物，以氧化物形式分离出来。

更新日期：2020-04-17

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