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μ-氰基-1:2κN:C-三氰基-2κC-(外消旋-5,5,7,12,12,14-六甲基-1,4,8,11-四氮杂环十四烷-1κN,N',N'',N''')二镍(II) N,N-二甲基甲酰胺单溶剂合物半水合物

μ-Cyanido-1:2κN:C-tricyanido-2κC-(rac-5,5,7,12,12,14-hexa-methyl-1,4,8,11-tetra-aza-cyclo-tetra-decane-1κN,N',N'',N''')dinickel(II) N,N-di-methyl-formamide monosolvate hemi-hydrate.

作者信息

Jiang Hai-Ming, Ng Seik Weng

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2010 Oct 30;66(Pt 11):m1467. doi: 10.1107/S1600536810042625.

DOI:10.1107/S1600536810042625
PMID:21588884
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3008996/
Abstract

The two Ni(II) atoms in the title complex, [Ni(2)(CN)(4)(C(16)H(36)N(4))]·C(3)H(7)NO·0.5H(2)O, are bridged by a cyanide ion. The macrocycle folds around one Ni(II) atom, which is five-coordinated in an NiN(5) square-pyramidal geometry. The other Ni(II) atom is surrounded by the cyanide ions in an NiN(4) square-planar geometry. The dimethyl-formamide solvent mol-ecule is disordered over two positions in a 0.62 (1):0.38 (1) ratio and the water mol-ecule is disordered about a center of inversion. The dinuclear mol-ecule and solvent mol-ecules are linked by N-H⋯O, N-H⋯N and O-H⋯O hydrogen bonds, forming a three-dimensional network.

摘要

标题配合物[Ni₂(CN)₄(C₁₆H₃₆N₄)]·C₃H₇NO·0.5H₂O中的两个Ni(II)原子由一个氰离子桥联。大环围绕一个以NiN₅方锥几何构型五配位的Ni(II)原子折叠。另一个Ni(II)原子被氰离子以NiN₄平面正方形几何构型包围。二甲基甲酰胺溶剂分子在两个位置上无序分布，比例为0.62 (1):0.38 (1)，水分子围绕一个反演中心无序分布。双核分子和溶剂分子通过N—H⋯O、N—H⋯N和O—H⋯O氢键相连，形成三维网络。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b8f4/3008996/80106da805ee/e-66-m1467-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b8f4/3008996/80106da805ee/e-66-m1467-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b8f4/3008996/80106da805ee/e-66-m1467-fig1.jpg

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