首页> 美国卫生研究院文献>Acta Crystallographica Section E: Crystallographic Communications >Penta­aqua­tri-μ3-hydroxido-tris­(imino­diacetato)-μ3-oxido-tetra­hedro-calcium(II)tricobalt(III) 2.54-hydrate
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Penta­aqua­tri-μ3-hydroxido-tris­(imino­diacetato)-μ3-oxido-tetra­hedro-calcium(II)tricobalt(III) 2.54-hydrate

机译:五水合-μ3-羟基-三(亚氨基二乙酰基)-μ3-氧化-四氢钙(II)三钴(III)2.54-水合物

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摘要

In the title compound, [CaCo3(C4H5NO4)3(OH)3O(H2O)5]·2.54H2O, the Co atom is octa­hedrally coordinated by one imino­diacetate (ida) dianion as a facial O,N,O′-tridentate ligand, two μ3-OH groups and one μ3-O ligand, forming an partial Co3O4 cubane cluster. This unit coordinates to a CaII cation in an O,O′,O′′-tridentate fashion, generating a distorted CaCo3O4 cubane-type cluster. The Ca—μ3-O distances [2.429 (5)–2.572 (6) Å] are much longer than the Co—μ3—O bonds [1.895 (5)–1.941 (5) Å]. The CaII cation is also coord­inated by five water mol­ecules with Ca—O distances in the range 2.355 (6)–2.543 (6) Å. There are three additional uncoordinated water mol­ecules in the asymmetric unit, the occupancy of which refined to 0.54 (3). In H2O (or D2O), the title complex hydrolyses to Ca2+ aq cations and [Co3(ida)32-OH)33-O)]2− anions.
机译:在标题化合物[CaCo3(C4H5NO4)3(OH)3O(H2O)5]·2.54H2O中,Co原子由一个亚氨基二乙酸(ida)二价阴离子作为表面O,N,O'-三齿配体进行八面体配位,两个μ3-OH基团和一个μ3-O配体,形成部分Co3O4古巴群。该单元以O,O',O''-三齿形式与Ca II 阳离子配位,生成扭曲的CaCo3O4古巴型簇。 Ca-μ3-O距离[2.429(5)–2.572(6)Å]比Co-μ 3 -O键[1.895(5)–1.941(5)Å]长得多。 Ca II 阳离子也由五个水分子组成,Ca-O距离在2.355(6)–2.543(6)Å之间。在不对称单元中还有另外三个不配位的水分子,其占有率精确到0.54(3)。在H 2 O(或D 2 O)中,标题复合物水解为Ca 2 + aq 阳离子和[Co 3 (ida) 3 (μ 2 -OH) 3 (μ 3 -O)] 2-阴离子。

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