吡嗪桥接多金属铜铱簇合物

IF 0.5 Q4 CRYSTALLOGRAPHY
Ben. J. Tickner , Richard Gammons , Adrian C. Whitwood , Simon B. Duckett
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引用次数: 0

摘要

分子化合物{Cu20Ir6Cl8(C21H24N2)6(C4H4N2)3]-3.18CH3OH或[({Cu10Ir3}Cl4(IMes)3(吡嗪))2(吡嗪)]-3的单晶体。18CH3OH[其中 IMes 为 1,3-双(2,4,6-三甲基苯基)咪唑-2-亚基],并具有独特的杂金属簇。该分子是中心对称的,其两个{Cu10Ir3}核心由吡嗪配体桥接。多金属簇包含三个稳定的 N-杂环碳、四个 Cl 配体和一个非桥接吡嗪配体。值得注意的是,铜-铁内核的排列形状很特别,包含 13 个顶点、22 个面和 32 个边。三十面体金属簇内的原子排列在四个平面上,每个平面上分别有 2、4、4、3 种金属。铱原子交替出现在不同的平面上,一个铱原子位于双金属平面的外围,两个铱原子位于不相邻的四金属平面的两侧。晶体中含有两个无序的甲醇溶剂分子,还有一个使用 PLATON 中的 SQUEEZE 例程校正的非模拟电子密度区域[Spek (2015). Acta Cryst. C71, 9-18]。给出的化学式和其他晶体数据并未考虑未调制的甲醇溶剂分子。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Pyrazine-bridged polymetallic copper–iridium clusters

The title mol­ecule is centrosymmetric, with a pyrazine ligand bridging two {Cu10Ir3} cluster units that are arranged in an unusual shape containing 13 vertices, 22 faces, and 32 sides.

Single crystals of the mol­ecular compound, {Cu20Ir6Cl8(C21H24N2)6(C4H4N2)3]·3.18CH3OH or [({Cu10Ir3}Cl4(IMes)3(pyrazine))2(pyrazine)]·3.18CH3OH [where IMes is 1,3-bis­(2,4,6-trimethylphen­yl)imidazol-2-yl­idene], with a unique heterometallic cluster have been prepared and the structure revealed using single-crystal X-ray diffraction. The mol­ecule is centrosymmetric with two {Cu10Ir3} cores bridged by a pyrazine ligand. The polymetallic cluster contains three stabilizing N-heterocyclic carbenes, four Cl ligands, and a non-bridging pyrazine ligand. Notably, the Cu—Ir core is arranged in an unusual shape containing 13 vertices, 22 faces, and 32 sides. The atoms within the trideca­metallic cluster are arranged in four planes, with 2, 4, 4, 3 metals in each plane. Ir atoms are present in alternate planes with an Ir atom featuring in the peripheral bimetallic plane, and two Ir atoms featuring on opposite sides of the non-adjacent tetra­metallic plane. The crystal contains two disordered methanol solvent mol­ecules with an additional region of non-modelled electron density corrected for using the SQUEEZE routine in PLATON [Spek (2015#). Acta Cryst. C71, 9–18]. The given chemical formula and other crystal data do not take into account the unmodelled methanol solvent mol­ecule(s).

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来源期刊
CiteScore
1.90
自引率
0.00%
发文量
351
审稿时长
3 weeks
期刊介绍: Acta Crystallographica Section E: Crystallographic Communications is the IUCr''s open-access structural communications journal. It provides a fast, simple and easily accessible publication mechanism for crystal structure determinations of inorganic, metal-organic and organic compounds. The electronic submission, validation, refereeing and publication facilities of the journal ensure rapid and high-quality publication of fully validated structures. The primary article category is Research Communications; these are peer-reviewed articles describing one or more structure determinations with appropriate discussion of the science.
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