Tsaryk Natalia V, Dudko Anatolij V, Kozachkova Alexandra N, Bon Vladimir V, Pekhnyo Vasily I
Institute of General and Inorganic Chemistry, NAS Ukraine, prosp. Palladina 32/34, Kyiv 03680, Ukraine.
Acta Crystallogr Sect E Struct Rep Online. 2010 Nov 10;66(Pt 12):m1533-4. doi: 10.1107/S1600536810045216.
In the title compound, [Cu(C(5)H(14)NO(6)P(2))(2)(H(2)O)(2)], the Cu(II) atom occupies a special position on an inversion centre. It exhibits a distorted octa-hedral coordination environment consisting of two O,O'-bidentate (1-ammonio-pentane-1,1-di-yl)diphospho-nate anions in the equatorial plane and two trans water mol-ecules located in axial positions. The ligand mol-ecules are coordinated to the Cu(II) atom in their zwitterionic form via two O atoms from different phospho-nate groups, creating two six-membered chelate rings with a screw-boat conformation. The CuO(6) coordination polyhedron is strongly elongated in the axial direction with 0.6 Å longer bonds than those in the equatorial plane. Intra-molecular N-H⋯O hydrogen bonding helps to stabilize the mol-ecular configuration. The presence of supra-molecular -PO(OH)⋯O(OH)P- units parallel to (100) and other O-H⋯O and N-H⋯O hydrogen bonds establish the three-dimensional set-up.
在标题化合物[Cu(C₅H₁₄NO₆P₂)₂(H₂O)₂]中,Cu(II)原子位于一个对称中心的特殊位置。它呈现出一种扭曲的八面体配位环境,赤道平面上有两个O,O'-双齿(1-氨基戊烷-1,1-二亚基)二膦酸根阴离子,轴向位置有两个反式水分子。配体分子以两性离子形式通过来自不同膦酸根基团的两个O原子与Cu(II)原子配位,形成两个具有船式构象的六元螯合环。CuO₆配位多面体在轴向上强烈拉长,轴向键长比赤道平面上的键长0.6 Å。分子内N-H⋯O氢键有助于稳定分子构型。平行于(100)的超分子-PO(OH)⋯O(OH)P-单元以及其他O-H⋯O和N-H⋯O氢键的存在建立了三维结构。