Poly[[bis­(μ4-acetato-κ4O:O:O′:O′)tetra­kis­(μ3-acetato-κ3O:O:O′)bis­(μ2-acetato-κ2O:O′)bis­(μ3-hydroxido)penta­nickel(II)] 2.60-hydrate]

IUCrData Pub Date : 2025-02-01 Epub Date: 2025-02-07 DOI:10.1107/S2414314625000823
Maximilian Pfeiffer , Berthold Stöger , Matthias Weil
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Abstract

The basic nickel acetate [Ni5(OAc)8(OH)2]·2.60H2O crystallizes in a polymeric framework structure with all three unique nickel cations in octa­hedral coordination by O atoms.
The title compound, {[Ni5(C2H3O2)8(OH)2]·2.60H2O}n or [Ni5(OAc)8(OH)2]·2.60H2O (OAc is the acetate anion, C2H3O2), represents a hydrated basic acetate. Its asymmetric unit comprises half of the formula unit, with one of the three unique NiII cations situated at an inversion centre. The NiII atoms are in octa­hedral coordination environments by O atoms of the acetato ligands and by the basic OH group. The different kinds of bridging modes (μ2, 2×μ3, and μ4 for the acetato ligands; μ3 for the OH group) lead to the formation of a framework structure with hydro­phobic channels extending parallel to the main crystallographic axes. Disordered water mol­ecules are situated in pockets close to the OH groups and are held in place by hydrogen-bonding inter­actions.
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Poly [[(a) -(μ4-acetato -κ4:或:奥奥)tetra-kis: -(μ3-acetato -κ3奥):或:(a) -(μ2-acetato -κ2或奥):(a) -(μ3-hydroxido) penta-nickel (II) 2 . 60-hydrate]。
标题化合物{[Ni5(C2H3O2)8(OH)2]-2.60H2O}或[Ni5(OAc)8(OH)2]-2.60H2O(OAc 是醋酸阴离子,C2H3O2)代表一种水合碱式醋酸盐。它的不对称单元占公式单元的一半,三个独特的 NiII 阳离子中有一个位于反转中心。NiII 原子与乙酸配体的 O 原子和碱性羟基处于八面体配位环境中。不同的桥接模式(乙酸配体为 μ2、2×μ3 和 μ4;OH 基团为 μ3)导致形成了一种框架结构,其疏水通道平行于主要晶轴延伸。无序的水分子位于靠近羟基的口袋中,并通过氢键相互作用固定在原位。
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