Tsymbal Liudmyla V, Ardeleanu Rodinel, Shova Sergiu, Lampeka Yaroslaw D
L. V. Pisarzhevskii Institute of Physical Chemistry of the National Academy of, Sciences of Ukraine, Prospekt Nauki, 31, Kiev 03028, Ukraine.
"Petru Poni" Institute of Macromolecular Chemistry, Department of, Inorganic, Polymers, Aleea Grigore Ghica Voda 41A, RO-700487 Iasi, Romania.
Acta Crystallogr E Crystallogr Commun. 2022 Jun 30;78(Pt 7):750-754. doi: 10.1107/S2056989022006624. eCollection 2022 Jul 1.
The components of the title compound, [Ni(CHN)(HO)][Ni(CHN)(CHOP)]·10HO are two centrosymmetric [Ni(CHN)(HO)] dications, a centrosymmetric [Ni(CHN)(CHOP)] tetra-anion and five crystallographically unique water mol-ecules of crystallization. All of the nickel ions are coordinated by the four secondary N atoms of the macrocyclic cyclam ligands, which adopt the most energetically stable -III conformation, and the mutually O atoms of either water mol-ecules in the cations or the phospho-nate groups in the anion in a tetra-gonally distorted NiNO octa-hedral coordination geometry. Strong O-H⋯O hydrogen bonds between the protonated and the non-protonated phospho-nate O atoms of neighboring anions result in the formation of layers oriented parallel to the plane, which are linked into a three-dimensional network by virtue of numerous N-H⋯O and O-H⋯O hydrogen bonds arising from the -NH groups of the macrocycles, phospho-nate O atoms and coordinated and non-coordinated water mol-ecules.
标题化合物[Ni(CHN)(HO)][Ni(CHN)(CHOP)]·10HO的组成部分包括两个中心对称的[Ni(CHN)(HO)]二价阳离子、一个中心对称的[Ni(CHN)(CHOP)]四价阴离子以及五个结晶学上独特的结晶水分子。所有镍离子均由大环环胺配体的四个仲氮原子配位,这些配体采取能量上最稳定的-III构象,并且在四方畸变的NiNO八面体配位几何结构中,由阳离子中的水分子或阴离子中的膦酸酯基团的相互氧原子配位。相邻阴离子的质子化和非质子化膦酸酯氧原子之间强烈的O-H⋯O氢键导致形成平行于平面取向的层,这些层通过大环的-NH基团、膦酸酯氧原子以及配位和未配位的水分子产生的大量N-H⋯O和O-H⋯O氢键连接成三维网络。