Daly Connor I, Zeller Matthias, Zaleski Curtis M
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.
Acta Crystallogr Sect E Struct Rep Online. 2014 Nov 15;70(Pt 12):494-8. doi: 10.1107/S1600536814024441. eCollection 2014 Dec 1.
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).
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)。