首页> 美国卫生研究院文献>Acta Crystallographica Section E: Crystallographic Communications >Di-μ-azido-di­azidodi-μ-oxalato-di­histamine­tetra­copper(II) 0.9-hydrate
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Di-μ-azido-di­azidodi-μ-oxalato-di­histamine­tetra­copper(II) 0.9-hydrate

机译:二-叠氮基-重氮基-二草酸-二组胺四铜(II)0.9水合物

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摘要

The title compound, [Cu4(C2O4)2(N3)4(C5H9N3)2]·0.9H2O, contains a tetranuclear CuII-based molecule composed of two oxalate-bridged CuII dimers linked through end-on azide ions and related by an inversion center. The tetranuclear unit contains two crystallographically independent CuII ions. One CuII ion coordinates to two N atoms of a histamine mol­ecule, two O atoms of a bridging oxalate ligand, and an N atom of an end-on bridging azide ligand, leading to an elongated square-pyramidal coordination geometry in which the azide ion occupies the axial position. The other CuII ion, which has a square-planar coordination geometry, is coordinated by two O atoms of a bridging oxalate ligand and two N atoms of two different azide ligands, one which is bridging. In the crystal, a two-dimensional network parallel to (010) is formed by N—H⋯N and N—H⋯O hydrogen bonds. A partially occupied solvent water mol­ecule refined to an occupancy of 0.447 (5). Two of the azide ligands were refined as disordered over two sets of sites with refined occupancies in the ratios 0.517 (8):0.483 (8) and 0.553 (5):0.447 (5).
机译:标题化合物[Cu4(C2O4)2(N3)4(C5H9N3)2]·0.9H2O包含基于四核Cu II 的分子,该分子由两个草酸盐桥联的Cu II < / sup>二聚体通过末端叠氮化物离子连接,并与一个反转中心相关。四核单元包含两个晶体学独立的Cu II 离子。一个Cu II 离子与组胺分子的两个N原子,桥联的草酸酯配体的两个O原子以及末端桥接的叠氮化物配体的N原子配位,从而形成细长的方形金字塔形叠氮化物离子占据轴向位置的配位几何。另一个具有方形平面配位几何结构的Cu II 离子由桥接的草酸酯配体的两个O原子和两个桥接的叠氮化物配体的两个N原子配位。在晶体中,由NH = N和NH = O的氢键形成与(010)平行的二维网络。精制部分占有的溶剂水分子,使其达到0.447 solvent(5)。精制了两个叠氮化物配体,在两组位置上以0.517(8):0.483(8)和0.553(5):0.447(5)的比率精细排列。

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