Song Wen-Dong, Yan Jian-Bin, Hao Xiao-Min
College of Science, Guang Dong Ocean University, Zhan Jiang 524088, People's Republic of China.
Acta Crystallogr Sect E Struct Rep Online. 2008 Jun 13;64(Pt 7):m919-20. doi: 10.1107/S1600536808017285.
In the title dinuclear complex, [Ni(2)(C(8)H(7)O(2))(4)(C(12)H(8)N(2))(2)(H(2)O)], each Ni(II) atom is six-coordinated by three carboxylate O atoms from three 4-methyl-benzoate ligands, two N atoms from two 1,10-phenanthroline ligands, and one μ(2)-bridging aqua ligand. The dimeric complex is located on a crystallographic twofold axis and each Ni atom displays a distorted octa-hedral coordination geometry. The crystal structure is stabilized via intra-molecular hydrogen bonding of the bridging water mol-ecule and the uncoordinated carboxyl-ate O atoms, and by C-H⋯O and π-π stacking inter-actions [centroid-centroid distances between neighbouring phenanthroline ring systems and between the benzene ring of a 4-methyl-benzoate unit and a phenanthroline ring system are 3.662 (2) and 3.611 (3) Å, respectively].
在双核配合物[Ni₂(C₈H₇O₂)₄(C₁₂H₈N₂)₂(H₂O)]中,每个Ni(II)原子由来自三个4-甲基苯甲酸酯配体的三个羧酸根O原子、来自两个1,10-菲咯啉配体的两个N原子以及一个μ₂-桥连水配体进行六配位。二聚配合物位于一个晶体学二重轴上,每个Ni原子呈现出扭曲的八面体配位几何构型。晶体结构通过桥连水分子与未配位的羧酸根O原子之间的分子内氢键以及C-H⋯O和π-π堆积相互作用得以稳定[相邻菲咯啉环系统之间以及4-甲基苯甲酸酯单元的苯环与菲咯啉环系统之间的质心-质心距离分别为3.662(2)和3.611(3) Å]。