Pacifico Jessica, Stoeckli-Evans Helen
Institute of Chemistry, University of Neuchâtel, Av. de Bellevax 51, CH-2000 Neuchâtel, Switzerland.
Institute of Physics, University of Neuchâtel, rue Emile-Argand 11, CH-2000 Neuchâtel, Switzerland.
IUCrdata. 2021 Dec 9;6(Pt 12):x211295. doi: 10.1107/S2414314621012955. eCollection 2021 Dec.
Reaction of the ligand 2,2',2'',2'''-{[pyrazine-2,3,5,6-tetra-yltetra-kis-(methyl-ene)]tetra-kis-(sulfanedi-yl)}tetra-acetic acid (), with NiCl leads to the formation of a binuclear complex, (μ-2,2',2'',2'''-{[pyrazine-2,3,5,6-tetra-yltetra-kis-(methyl-ene)]tetra-kis-(sulfanedi-yl)}tetra-acetato-κ ,, ,',':κ '','', ,''',''')bis[aqua-nickel(II)] hepta-hydrate, {[Ni(CHNOS)(HO)]·7HO} (). It crystallizes with two half mol-ecules in the asymmetric unit. The complete mol-ecules are generated by inversion symmetry, with the center of the pyrazine rings being located at crystallographic centres of inversion. The ligand coordinates two Ni ions in a bis-penta-dentate manner and the sixfold coordination sphere of each nickel(II) atom (NiSON) is completed by a water mol-ecule. The complex crystallized as a hepta-hydrate. The binuclear complexes are linked by O-H⋯O hydrogen bonds, forming layers parallel to the (101) plane. This layered structure is additionally stabilized by weak C-H⋯O hydrogen bonds. Further O-H⋯O hydrogen bonds involving binuclear complexes and solvent water mol-ecules, together with weak C-H⋯S hydrogen bonds, link the layers to form a supra-molecular framework.
配体2,2',2'',2'''-{[吡嗪-2,3,5,6-四亚基四(亚甲基)]四(硫烷二亚基)}四乙酸（）与NiCl反应生成双核配合物，（μ-2,2',2'',2'''-{[吡嗪-2,3,5,6-四亚基四(亚甲基)]四(硫烷二亚基)}四乙酸根-κ ,, ,',':κ '','', ,''','''）双[水合镍(II)]七水合物，{[Ni(CHNOS)(HO)]·7HO}（）。它在不对称单元中以两个半分子结晶。完整的分子通过反演对称性产生，吡嗪环的中心位于晶体学反演中心。配体以双五齿方式配位两个Ni离子，每个镍(II)原子（NiSON）的六配位球由一个水分子完成。该配合物以七水合物形式结晶。双核配合物通过O-H⋯O氢键相连，形成平行于(101)平面的层。这种层状结构通过弱C-H⋯O氢键进一步稳定。涉及双核配合物和溶剂水分子的进一步O-H⋯O氢键，以及弱C-H⋯S氢键，将这些层连接起来形成一个超分子框架。
