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-二水合-(1,4,8,11-四氮杂十一烷)镍(II)双-(吡啶-2,6-二羧酸根)镍(II)的晶体结构

Crystal structure of -di-aqua-(1,4,8,11-tetra-aza-undeca-ne)nickel(II) bis-(pyridine-2,6-di-carboxyl-ato)nickel(II).

作者信息

Andriichuk Irina L, Tsymbal Liudmyla V, Arion Vladimir B, Lampeka Yaroslaw D

机构信息

L. V. Pisarzhevskii Institute of Physical Chemistry of the National Academy of Sciences of Ukraine, Prospekt Nauki 31, 03028 Kiev, Ukraine.

Institute of Inorganic Chemistry of the University of Vienna, Wahringer Str., 42, 1090 Vienna, Austria.

出版信息

Acta Crystallogr E Crystallogr Commun. 2021 Oct 29;77(Pt 11):1175-1179. doi: 10.1107/S2056989021011178. eCollection 2021 Nov 1.

Abstract

The asymmetric unit of the title compound, -di-aqua-(1,4,8,11-tetra-aza-undecane-κ , , , )nickel(II) bis-(pyridine-2,6-di-carboxyl-ato-κ ,, )nickel(II) {[Ni()(HO)][Ni(pdc)] where = 1,4,8,11-tetra-aza-undecane (CHN) and pdc = the dianion of pyridine-2,6-di-carb-oxy-lic acid (CHNO )} consists of an [Ni()(HO)] complex cation and a [Ni(pdc)] anion. The metal ion in the cation is coordinated by the four N atoms of the tetra-amine ligand and the mutually O atoms of the water mol-ecules in a tetra-gonally elongated octa-hedral geometry with the average equatorial Ni-N bond length slightly shorter than the average axial Ni-O bond [2.087 (4) 2.128 (4) Å]. The ligand adopts its energetically favored conformation with five-membered and six-membered chelate rings in and conformations, respectively. In the complex anion, the Ni ion is coordinated by the two tridentate pdc ligands their carboxyl-ate and nitro-gen atom donors in a distorted octa-hedral -NiON geometry with nearly orthogonal orientation of the planes defining the carboxyl-ate rings and the average Ni-N bond length [1.965 (4) Å] shorter than the average Ni-O bond distance [2.113 (7) Å]. In the crystal, the NH donor groups of the tetra-amine, the carb-oxy-lic groups of the pdc anion and the coordinated water mol-ecules are involved in numerous N-H⋯O and O-H⋯O hydrogen bonds, leading to electroneutral sheets oriented parallel to the (001) plane.

摘要

标题化合物{[Ni()(H₂O)₂][Ni(pdc)],其中 = 1,4,8,11 - 四氮杂十一烷(CH₂₂N₄)且pdc = 吡啶 - 2,6 - 二羧酸(CH₄NO₄)的二价阴离子}的不对称单元由一个[Ni()(H₂O)₂]络合阳离子和一个[Ni(pdc)]阴离子组成。阳离子中的金属离子由四胺配体的四个N原子和水分子相互的O原子以四方拉长八面体几何构型配位,平均赤道面Ni - N键长略短于平均轴向Ni - O键长[2.087 (4) 对 2.128 (4) Å]。配体 分别以 和 构象形成五元环和六元螯合环,处于其能量有利的构象。在络合阴离子中,Ni离子由两个三齿pdc配体通过它们的羧酸根和氮原子供体以扭曲八面体 -NiON几何构型配位,定义羧酸根环的平面近乎正交,平均Ni - N键长[1.965 (4) Å]短于平均Ni - O键距[2.113 (7) Å]。在晶体中,四胺的NH供体基团、pdc阴离子的羧基基团和配位水分子参与了大量的N - H⋯O和O - H⋯O氢键,形成了平行于(001)平面取向的电中性片层。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d5f3/8587994/a82156e6aa15/e-77-01175-fig1.jpg

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