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二水合双(2-氟苯甲酸根-κO,O')双(1,10-菲咯啉-κN,N')铅(II)

Bis(2-fluoro-benzoato-κO,O')bis-(1,10-phenanthroline-κN,N')lead(II) dihydrate.

作者信息

Zhang Bi-Song

机构信息

College of Materials Science and Chemical Engineering, Jinhua College of Profession and Technology, Jinhua, Zhejiang 321017, People's Republic of China.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2009 Sep 5;65(Pt 10):m1167-8. doi: 10.1107/S1600536809035016.

DOI:10.1107/S1600536809035016
PMID:21577705
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2970442/
Abstract

In the title compound, [Pb(C(7)H(4)FO(2))(2)(C(12)H(8)N(2))(2)]·2H(2)O, the Pb(II) atom is coordinated by four N atoms from two bidentate chelating 1,10-phenanthroline (phen) ligands and four O atoms from two 2-fluoro-benzoate ligands in an irregular polyhedral coordination geometry. Two carboxyl-ate O atoms and one F atom are each disordered over two sites with occupancy factors of 0.60 and 0.40. The dihedral angle between the two phen ligands is 89.9 (1)°. The mean inter-planar distances are alternatively of 3.44 (3) and 3.45 (3) Å, indicating π-π stacking inter-actions between the neighboring phen ligands. In the crystal, O-H⋯O, O-H⋯F and C-H⋯O hydrogen bonds link the complex mol-ecules and uncoordinated water mol-ecules into a supra-molecular network.

摘要

在标题化合物[Pb(C₇H₄FO₂)₂(C₁₂H₈N₂)₂]·2H₂O中,Pb(II)原子由来自两个双齿螯合1,10 - 菲咯啉(phen)配体的四个N原子和来自两个2 - 氟苯甲酸酯配体的四个O原子以不规则多面体配位几何构型配位。两个羧酸根O原子和一个F原子各自在两个位置上无序分布,占据因子分别为0.60和0.40。两个phen配体之间的二面角为89.9 (1)°。平均平面间距离交替为3.44 (3) 和3.45 (3) Å,表明相邻phen配体之间存在π - π堆积相互作用。在晶体中,O - H⋯O、O - H⋯F和C - H⋯O氢键将配合物分子和未配位的水分子连接成一个超分子网络。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d99a/2970442/f118d3477421/e-65-m1167-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d99a/2970442/a965eb5c8a7d/e-65-m1167-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d99a/2970442/f118d3477421/e-65-m1167-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d99a/2970442/a965eb5c8a7d/e-65-m1167-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d99a/2970442/f118d3477421/e-65-m1167-fig2.jpg

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本文引用的文献

1
Hemiaqua-bis(2-fluoro-benzoato-κO,O')bis-(1,10-phenanthroline-κN,N')lead(II) dihydrate.半水合双(2-氟苯甲酸根-κO,O')双(1,10-菲咯啉-κN,N')铅(II)二水合物
Acta Crystallogr Sect E Struct Rep Online. 2009 Jul 18;65(Pt 8):m936-7. doi: 10.1107/S1600536809027524.
2
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.