Triaqua-1κ3O-μ-cyanido-1:2κ2N:C-pentacyanido-2κ5C-tetrakis(dimethylformamide-1κO)-1-holmium(III)-2-iron(III) monohydrate

Hong-Fang Li,Fan Yang,Ming-Jin Xie,Qi-Hua Zhao

doi:10.1107/s160053681102695x

Abstract

In the bimetallic cyanide-bridged title complex, [Fe0.98HoRu0.02(CN)6(C3H7NO)4(H2O)3]·H2O, the HoIII ion is in a slightly distorted square-antiprismatic arrangement formed by seven O atoms from four dimethylformamide (DMF) molecules and three water molecules, and one N atom from a bridging cyanide group connected with the FeIII atom which is octahedrally coordinated by six cyanide groups. In the crystal, molecules are held together through O—H⋯N and O—H⋯O hydrogen-bonding interactions to form a three-dimensional framework. Elemental analysis of one of the precursors and the crystal shows that there is a slight contamination of Fe by Ru. The Fe site displays, therefore, small substitutional disorder with site-occupancy factors Fe/Ru = 0.98:0.02. The two methyl groups of two dimethylformamide ligands are positionally disordered with site-occupancy factors of 0.44 (3):0.56 (3) and 0.44 (3):0.56 (3).

Highlights

Yunnan University, Department of Chemistry, Key Laboratory of Medicinal Chemistry for Natural Resource, Ministry of Education, Kunming 650091, People’s Republic of
In the bimetallic cyanide-bridged title complex, [Fe0.98HoRu0.02(CN)6(C3H7NO)4(H2O)3]H2O, the HoIII ion is in a slightly distorted square-antiprismatic arrangement formed by seven O atoms from four dimethylformamide (DMF) molecules and three water molecules, and one N atom from a bridging cyanide group connected with the FeIII atom which is octahedrally coordinated by six cyanide groups
The two methyl groups of two dimethylformamide ligands are positionally disordered with siteoccupancy factors of 0.44 (3):0.56 (3) and 0.44 (3):0.56 (3)

Summary

Crystal data

Triaqua-1j3O-l-cyanido-1:2j2N:Cpentacyanido-2j5C-tetrakis(dimethylformamide-1jO)-1-holmium(III)2-iron(III) monohydrate Yunnan University, Department of Chemistry, Key Laboratory of Medicinal Chemistry for Natural Resource, Ministry of Education, Kunming 650091, People’s Republic of China. Key indicators: single-crystal X-ray study; T = 293 K; mean (N–C) = 0.011 Å; disorder in main residue; R factor = 0.042; wR factor = 0.131; data-to-parameter ratio = 16.3.

Data collection

Related literature

Findings

Special details