Malinkin Sergey, Golenya Irina A, Pavlenko Vadim A, Haukka Matti, Iskenderov Turganbay S
Acta Crystallogr Sect E Struct Rep Online. 2011 Sep 1;67(Pt 9):m1260-1. doi: 10.1107/S1600536811030832. Epub 2011 Aug 17.
The title compound, [Cu(4)(C(7)H(6)N(2)O(3))(4)(H(2)O)(4)]·14H(2)O, a tetra-nuclear [2 × 2] grid-type complex with S4 symmetry, contains four Cu(II) atoms which are bridged by four pyrazole-carboxyl-ate ligand anions and are additionally bonded to a water molecule. Each Cu(II) atom is coordinated by two O atoms of the carboxyl-ate and acetyl groups, two pyrazole N atoms of doubly deprotonated 3-acetyl-4-methyl-1H-pyrazole-5-carb-oxy-lic acid and one O atom of a water mol-ecule. The geometry at each Cu(II) atom is distorted square-pyramidal, with the two N and two O atoms in the equatorial plane and O atoms in the axial positions. O-H⋯O hydrogen-bonding interactions additionally stabilize the structure. One of the uncoordinated water molecules shows half-occupancy.
标题化合物[Cu₄(C₇H₆N₂O₃)₄(H₂O)₄]·14H₂O是一种具有S₄对称性的四核[2×2]网格型配合物，包含四个Cu(II)原子，它们由四个吡唑羧酸根配体阴离子桥连，并且还与一个水分子键合。每个Cu(II)原子由羧酸根和乙酰基的两个O原子、双去质子化的3-乙酰基-4-甲基-1H-吡唑-5-羧酸的两个吡唑N原子以及一个水分子的O原子配位。每个Cu(II)原子处的几何构型为扭曲的四方锥，两个N原子和两个O原子在赤道平面，O原子在轴向位置。O—H⋯O氢键相互作用进一步稳定了该结构。其中一个未配位的水分子呈现半占据状态。
