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聚[[二水合-双-(μ-草酸根-κ(4)O(1),O(2):O(1'),O(2'))双-(μ(3)-5-氧化吡啶-1-鎓-3-羧基-κ(3)O(3):O(3'):O(5))二钬(III)]二水合物]

Poly[[diaqua-bis-(μ-oxalato-κ(4)O(1),O(2):O(1'),O(2'))bis-(μ(3)-5-oxidopyridin-1-ium-3-carboxyl-ato-κ(3)O(3):O(3'):O(5))diholmium(III)] dihydrate].

作者信息

Mi Jun-Long, Huang Jing, Chen Hong-Ji

机构信息

Department of Materials Science and Engineering, Jinan University, Guangzhou 510632, People's Republic of China.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2012 Sep 1;68(Pt 9):m1146-7. doi: 10.1107/S1600536812032916. Epub 2012 Aug 4.

DOI:10.1107/S1600536812032916
PMID:22969449
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3435576/
Abstract

In the title compound, {[Ho(2)(C(6)H(4)NO(3))(2)(C(2)O(4))(2)(H(2)O)(2)]·2H(2)O}(n), the Ho(III) atom is coordinated by three O atoms from three 5-hy-droxy-nicotinate ligands, four O atoms from two oxalate ligands, each lying on an inversion center, and one water mol-ecule in a distorted square-anti-prismatic geometry. The 5-hy-droxy-nicotinate ligand is protonated at the N atom and deprotonated at the hy-droxy group. The Ho(III) atoms are bridged by the carboxyl-ate and phenolate O atoms, forming a three-dimensional framework. N-H⋯O and O-H⋯O hydrogen bonds, as well as π-π inter-actions between the pyridine rings [centroid-centroid distance = 3.794 (2) Å], are observed.

摘要

在标题化合物{[Ho₂(C₆H₄NO₃)₂(C₂O₄)₂(H₂O)₂]·2H₂O}ₙ中，Ho(III)原子由来自三个5-羟基烟酸酯配体的三个O原子、来自两个草酸酯配体的四个O原子（每个位于一个反演中心上）以及一个水分子配位，形成扭曲的四方反棱柱几何构型。5-羟基烟酸酯配体在N原子处质子化，在羟基处去质子化。Ho(III)原子通过羧酸根和酚氧原子桥连，形成三维骨架。观察到N-H⋯O和O-H⋯O氢键，以及吡啶环之间的π-π相互作用[质心-质心距离 = 3.794 (2) Å]。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7ec8/3435576/c876d8aa196e/e-68-m1146-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7ec8/3435576/b77d7db1d592/e-68-m1146-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7ec8/3435576/5bcbbea24156/e-68-m1146-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7ec8/3435576/c876d8aa196e/e-68-m1146-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7ec8/3435576/b77d7db1d592/e-68-m1146-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7ec8/3435576/5bcbbea24156/e-68-m1146-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7ec8/3435576/c876d8aa196e/e-68-m1146-fig3.jpg

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