首页> 美国卫生研究院文献>Acta Crystallographica Section E: Crystallographic Communications >Di-μ-acetato-bis­(dimethyl­formamide)­penta­kis­(μ-N2-dioxidobenzene-1-car­boximidato)tetra­kis­(1-ethyl­imidazole)­penta­manganese(III)­manganese(II)–diethyl ether–dimethyl­foramide–methanol–water (1/1/1/1/0.12)
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Di-μ-acetato-bis­(dimethyl­formamide)­penta­kis­(μ-N2-dioxidobenzene-1-car­boximidato)tetra­kis­(1-ethyl­imidazole)­penta­manganese(III)­manganese(II)–diethyl ether–dimethyl­foramide–methanol–water (1/1/1/1/0.12)

机译:Di-μ-乙酰基-双(二甲基甲酰胺)五((N-N2-二氧化苯-1-羧酰亚胺)四(1-乙基咪唑)五锰(II)-二乙醚-二甲基甲酰胺-甲醇-水(1 / 1/1/1 / 0.12)

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摘要

The title compound [Mn6(C7H4NO3)5(CH3CO2)2(C5H8N2)4(C3H7NO)2]·(C2H5)2O·C3H7NO·CH3OH·0.12H2O, abbreviated as MnII(OAc)2[15-MCMnIII(N)shi-5](EtIm)4(DMF)2·diethyl ether·DMF·MeOH·0.12H2O (where OAc is acetate, MC is metallacrown, shi3− is salicylhydroximate, EtIM is n-ethylimidazole, DMF is N,N-dimethylformamide, and MeOH is methanol) contains five MnIII ions as members of the metallacrown ring and an MnII ion bound in the central cavity. The central MnII ion is seven-coordinate with a distorted face-capped trigonal–prismatic geometry. The five MnIII ions of the metallacrown ring are six-coordinate with distorted octa­hedral geometries. The configuration of the MnIII ions about the metallacrown ring follow a ΔΛΔPP pattern, with P representing planar. The four 1-ethyl­imidazole ligands are bound to four different MnIII ions. A diethyl ether solvent mol­ecule was found to be disordered over two mutually exclusive sites with an occupancy ratio of 0.568 (7):0.432 (7). A methanol solvent mol­ecule was found to be disordered over two mutually exclusive sites by being hydrogen bonded either to a dimethyl­formamide solvent mol­ecule (major occupancy component) or to an O atom of the main mol­ecule (minor occupancy component). The occupancy ratio refined to 0.678 (11):0.322 (11). Associated with the minor component is a partially occupied water mol­ecule [total occupancy 0.124 (15)].
机译:标题化合物[Mn6(C7H4NO3)5(CH3CO2)2(C5H8N2)4(C3H7NO)2]·(C2H 5 2 O·C 3 < /sub>H7NO·CH3OH·0.12H2O,缩写为Mn II (OAc ) 2 [15-MC MnIII(N)shi -5](EtIm)4(DMF)2·乙醚·DMF·MeOH·0.12H 2 O(其中- OAc是乙酸盐,MC是金属漆黑素,shi 3-是水杨基氢氧酸酯,EtIM是正乙基咪唑,DMF是N,N-二甲基甲酰胺,甲醇为甲醇)含有5个Mn III 离子作为金属环环成员,并在中心腔中键合Mn II 离子。中心的Mn II 离子是七坐标的,具有扭曲的面封的三角棱柱几何形状。金属凹环的五个Mn III 离子具有六坐标,且八面体的几何形状变形。围绕金属凹环的Mn III 离子的构型遵循ΔΛΔPP模式,P表示平面。四个1-乙基­咪唑配体与四个不同的Mn III 离子键合。发现二乙醚溶剂分子在两个互斥的位点无序,占有率为0.568(7):0.432(7)。发现甲醇溶剂分子通过氢键合到二甲基甲酰胺溶剂分子(主要占有成分)或主分子的O原子(少量占有成分)而在两个互斥的位点上无序。占用率细化为0.678(11):0.322(11)。与次要成分有关的是部分占据的水分子[总占有率0.124(15)]。

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