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二水合双（2-氧代-2H-色烯-3-羧酸根-κO，O）镉

Diaqua-bis-(2-oxo-2H-chromene-3-carboxyl-ato-κO,O)cadmium.

作者信息

Cui Yue, Gao Qian, Wang Huan-Huan, Wang Lin, Xie Ya-Bo

机构信息

College of Environmental and Energy Engineering, Beijing University of Technology, Beijing 100124, People's Republic of China.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2010 Dec 24;67(Pt 1):m126. doi: 10.1107/S1600536810053523.

DOI:10.1107/S1600536810053523
PMID:21522537
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3050216/
Abstract

In the title mononuclear cadmium complex, [Cd(C(10)H(5)O(4))(2)(H(2)O)(2)], the Cd(II) atom, located on a crystallographic inversion center, exhibits a slightly distorted octa-hedral geometry and is six-coordinated by two O atoms from water mol-ecules in the axial positions and four O atoms from two deprotonated coumarin-3-carb-oxy-lic acid ligands in the equatorial plane. Angles around the Cd(II) atom vary between 81.00 (5) and 99.00 (0)°. The Cd-O bond lengths vary between 2.1961 (13) and 2.3360 (13) Å. O-H⋯O hydrogen bonds between the H atoms of coordinated water mol-ecules and the O atoms of carboxyl-ate groups link the complex mol-ecules into layers parallel to the ab plane.

摘要

在标题单核镉配合物[Cd(C₁₀H₅O₄)₂(H₂O)₂]中，位于晶体学反演中心的Cd(II)原子呈现出略微扭曲的八面体几何构型，由轴向位置的两个水分子中的O原子和赤道平面上来自两个去质子化香豆素-3-羧酸配体的四个O原子进行六配位。Cd(II)原子周围的角度在81.00 (5)°至99.00 (0)°之间变化。Cd - O键长在2.1961 (13) Å至2.3360 (13) Å之间变化。配位水分子的H原子与羧酸根基团的O原子之间的O - H⋯O氢键将配合物分子连接成平行于ab平面的层。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8d2f/3050216/a28b3f516c50/e-67-0m126-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8d2f/3050216/5b9d1aaf7343/e-67-0m126-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8d2f/3050216/a28b3f516c50/e-67-0m126-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8d2f/3050216/5b9d1aaf7343/e-67-0m126-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8d2f/3050216/a28b3f516c50/e-67-0m126-fig2.jpg

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本文引用的文献

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A short history of SHELX.SHELX简史。
Acta Crystallogr A. 2008 Jan;64(Pt 1):112-22. doi: 10.1107/S0108767307043930. Epub 2007 Dec 21.
2
Theoretical study of metal-ligand interaction in Sm(III), Eu(III), and Tb(III) complexes of coumarin-3-carboxylic acid in the gas phase and solution.气相和溶液中香豆素-3-羧酸的Sm(III)、Eu(III)和Tb(III)配合物中金属-配体相互作用的理论研究
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