首页> 美国卫生研究院文献>Acta Crystallographica Section E: Crystallographic Communications >Di-μ-cyanido-tetra­cyanido(557121214-hexa­methyl-14811-tetra­aza­cyclo­tetra­decane)N-(quinolin-8-yl)quinoline-2-carboxamidatodiiron(III)nickel(II) 2.07-hydrate
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Di-μ-cyanido-tetra­cyanido(557121214-hexa­methyl-14811-tetra­aza­cyclo­tetra­decane)N-(quinolin-8-yl)quinoline-2-carboxamidatodiiron(III)nickel(II) 2.07-hydrate

机译:Di-μ-氰基-四氰基(557121214-六甲基-14811-四氮杂环十四烷)N-(喹啉-8-基)喹啉-2-羧酰胺基二铁( III)镍(II)2.07水合物

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摘要

The asymmetric unit of the title complex, [Fe2Ni(C19H12N3O)2(CN)6(C16H36N4)]·2.07H2O, contains one [Fe(qcq)(CN)3] anion, half a [Ni(teta)]2+ cation and two partially occupied inter­stitial water mol­ecules [qcq is the N-(quinolin-8-yl)quinoline-2-carboxamidate anion and teta is 5,5,7,12,12,14-hexa­methyl-1,4,8,11-tetra­aza­cyclo­tetra­deca­ne]. In the complex mol­ecule, two [Fe(qcq)(CN)3] anions additionally coordinate the central [Ni(teta)]2+ cation through cyanide groups in a trans mode, resulting in a trinuclear structure with the Ni2+ cation lying on an inversion centre. The two inter­stitial water mol­ecules are partially occupied, with occupancy factors of 0.528 (10) and 0.506 (9). O—H⋯O and O—H⋯N hydrogen bonding involving the two lattice water molecules and the carbonyl function and a teta N atom in an adjacent cluster leads to the formation of layers extending parallel to (010).
机译:标题配合物的不对称单元[Fe2Ni(C19H12N3O)2(CN)6(C16H36N4)]·2.07H2O包含一个[Fe(qcq)(CN)3] -阴离子,一半[Ni(teta)] 2 + 阳离子和两个部分占据的间隙水分子[qcq -是N-(quinolin-8-yl)quinoline-2-carboxamidate anion teta是5,5,7,12,12,14-六甲基-1,4,8,11-四氮杂环十四烷]。在复杂分子中,两个[Fe(qcq)(CN)3] -阴离子另外通过氰化物中的氰基配位中心[Ni(teta)] 2 + 阳离子。反式模式,形成三核结构,Ni 2 + 阳离子位于反型中心。两种间质性水分子被部分占据,占有因子分别为0.528(10)和0.506(9)。涉及两个晶格水分子和羰基官能团的O-H = O和O-H = N氢键和相邻簇中的teta N原子导致形成平行于(010)延伸的层。

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