Suppr超能文献

二-μ-氯-乙酸根-六-双(二甲基甲酰胺)-四-双(μ-N,2-二氧化苯-1-甲脒基)四锰(III)二钠二甲基甲酰胺二溶剂化物的晶体结构

Crystal structure of di-μ-chloro-acetato-hexa-kis-(di-methyl-formamide)-tetra-kis-(μ-N,2-dioxido-benzene-1-carboximidato)tetra-manganese(III)disodium dimethyl-formamide disolvate.

作者信息

Daly Connor I, Zeller Matthias, Zaleski Curtis M

机构信息

Department of Chemistry, Shippensburg University, 1871 Old Main Dr., Shippensburg, PA 17257, USA.

Department of Chemistry, Youngstown State University, 1 University Plaza, Youngstown, OH 44555, USA.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2014 Nov 15;70(Pt 12):494-8. doi: 10.1107/S1600536814024441. eCollection 2014 Dec 1.

Abstract

The synthesis, crystal structure, and FT-IR data for the title compound, [Na2Mn4(C2H2ClO2)2(C7H4NO3)4(C3H7NO)6]·2C3H7NO or Na2(O2CCH2Cl)212-MCMn(III) N(shi)-46·2DMF, where MC is metallacrown, shi(3-) is salicyl-hydroximate, and DMF is N,N-di-methyl-formamide, is reported. The macrocyclic metallacrown consists of an -[Mn(III)-N-O]4- ring repeat unit and the metallacrown captures two Na(+) ions in the central cavity above and below the plane of the metallacrown. Each Na(+) ion is seven-coordinate and is bridged to two ring Mn(III) ions, through either a coordinating DMF mol-ecule or a chloro-acetate anion. The ring Mn(III) ions have either a tetra-gonally distorted octa-hedral geometry or a distorted square-pyramidal geometry. Weak C-H⋯O inter-actions, in addition to pure van der Waals forces, contribute to the overall packing of the mol-ecules. The complete molecule has inversion symmetry and is disordered over two sets of sites with an occupancy ratio of 0.8783 (7):0.1217 (7). The solvent molecule is also disordered over two sets of sites, with an occupancy ratio of 0.615 (5):0.385 (5).

摘要

报道了标题化合物[Na₂Mn₄(C₂H₂ClO₂)₂(C₇H₄NO₃)₄(C₃H₇NO)₆]·2C₃H₇NO或Na₂(O₂CCH₂Cl)₂12-MCMn(III) N(shi)-4₆·2DMF的合成、晶体结构和傅里叶变换红外光谱数据,其中MC为金属冠醚,shi(3-)为水杨醛肟,DMF为N,N-二甲基甲酰胺。大环金属冠醚由一个-[Mn(III)-N-O]₄-环重复单元组成,且该金属冠醚在金属冠醚平面上方和下方的中心腔内捕获两个Na⁺离子。每个Na⁺离子为七配位,通过一个配位的DMF分子或一个氯乙酸根阴离子与两个环上的Mn(III)离子相连。环上的Mn(III)离子具有四方畸变八面体几何构型或畸变的四方锥几何构型。除了纯粹的范德华力外,弱的C-H⋯O相互作用也有助于分子的整体堆积。完整的分子具有反演对称性,在两组位置上无序,占据比为0.8783 (7):0.1217 (7)。溶剂分子在两组位置上也无序,占据比为0.615 (5):0.385 (5)。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ed65/4257439/c00e29a16a58/e-70-00494-fig1.jpg

相似文献

1
Crystal structure of di-μ-chloro-acetato-hexa-kis-(di-methyl-formamide)-tetra-kis-(μ-N,2-dioxido-benzene-1-carboximidato)tetra-manganese(III)disodium dimethyl-formamide disolvate.
Acta Crystallogr Sect E Struct Rep Online. 2014 Nov 15;70(Pt 12):494-8. doi: 10.1107/S1600536814024441. eCollection 2014 Dec 1.
2
Synthesis and crystal structure of two manganese-based 12-metallacrown-4 complexes: Na(3-chloro-benzoate)[12-MC-4](DMF) and MnNa(3-chloro-benzoate)[12-MC-4](DMF)(HO)·4DMF·0.72HO.
Acta Crystallogr E Crystallogr Commun. 2020 May 19;76(Pt 6):848-856. doi: 10.1107/S2056989020006362. eCollection 2020 Jun 1.
5
Crystal structures of two heterotrimetallic dysprosium-manganese-sodium 12-metallacrown-4 complexes with the bridging ligands 3-hy-droxy-benzoate and 4-hy-droxy-benzoate.
Acta Crystallogr E Crystallogr Commun. 2020 Jul 7;76(Pt 8):1213-1221. doi: 10.1107/S2056989020008853. eCollection 2020 Aug 1.
7
Synthesis and crystal structure of a heterobimetallic nickel-manganese 12-metallacrown-4 methanol disolvate monohydrate compound.
Acta Crystallogr E Crystallogr Commun. 2020 Oct 6;76(Pt 11):1720-1724. doi: 10.1107/S205698902001316X. eCollection 2020 Nov 1.
9
Penta-kis-(μ3-N,2-di-oxido-benzene-1-car-box-imid-ato)di-μ2-formato-penta-kis-(1H-imidazole)-methanolpenta-manganese(III)man-gan-ese(II)-methanol-water (1/3.36/0.65).
Acta Crystallogr Sect E Struct Rep Online. 2012 Dec 1;68(Pt 12):m1521-2. doi: 10.1107/S1600536812047228. Epub 2012 Nov 24.
10
Bis(tetra-ethyl-ammonium) bis-(dimethyl-formamide)-tetra-kis-(μ-N,2-dioxido-benzene-1-carboximidato)penta-copper(II).
Acta Crystallogr Sect E Struct Rep Online. 2011 Apr 1;67(Pt 4):m419-20. doi: 10.1107/S1600536811007975. Epub 2011 Mar 12.

引用本文的文献

1
Synthesis and crystal structure of two manganese-based 12-metallacrown-4 complexes: Na(3-chloro-benzoate)[12-MC-4](DMF) and MnNa(3-chloro-benzoate)[12-MC-4](DMF)(HO)·4DMF·0.72HO.
Acta Crystallogr E Crystallogr Commun. 2020 May 19;76(Pt 6):848-856. doi: 10.1107/S2056989020006362. eCollection 2020 Jun 1.
2
A Heterobimetallic Anionic 3,6-Connected 2D Coordination Polymer Based on Nitranilate as Ligand.
Polymers (Basel). 2016 Mar 16;8(3):89. doi: 10.3390/polym8030089.

本文引用的文献

2
ShelXle: a Qt graphical user interface for SHELXL.
J Appl Crystallogr. 2011 Dec 1;44(Pt 6):1281-1284. doi: 10.1107/S0021889811043202. Epub 2011 Nov 12.
3
Towards models of the oxygen-evolving complex (OEC) of photosystem II: a Mn4Ca cluster of relevance to low oxidation states of the OEC.
Chem Commun (Camb). 2011 Oct 21;47(39):11128-30. doi: 10.1039/c1cc13770k. Epub 2011 Sep 9.
4
Supramolecular coordination chemistry: the synergistic effect of serendipity and rational design.
Angew Chem Int Ed Engl. 2008;47(46):8794-824. doi: 10.1002/anie.200702075.
5
A short history of SHELX.
Acta Crystallogr A. 2008 Jan;64(Pt 1):112-22. doi: 10.1107/S0108767307043930. Epub 2007 Dec 21.
6
Structural and functional evolution of metallacrowns.
Chem Rev. 2007 Nov;107(11):4933-5003. doi: 10.1021/cr078200h.

文献AI研究员

20分钟写一篇综述,助力文献阅读效率提升50倍。

立即体验

用中文搜PubMed

大模型驱动的PubMed中文搜索引擎

马上搜索

文档翻译

学术文献翻译模型,支持多种主流文档格式。

立即体验