Crystal structure of a low-spin poly[di-μ3-cyanido-di-μ2-cyanido-bis-(μ2-2-ethyl-pyrazine)-dicopper(I)iron(II)]

Acta Crystallogr E Crystallogr Commun. 2019 Jul 19;75(Pt 8):1205-1208. doi: 10.1107/S2056989019009496. eCollection 2019 Aug 1.

Abstract

In the title metal-organic framework, [Fe(C6H8N2)2{Cu(CN)2}2] n , the low-spin FeII ion lies at an inversion centre and displays an elongated octa-hedral [FeN6] coordination environment. The axial positions are occupied by two symmetry-related bridging 2-ethyl-pyrazine ligands, while the equatorial positions are occupied by four N atoms of two pairs of symmetry-related cyanide groups. The CuI centre is coordinated by three cyanide carbon atoms and one N atom of a bridging 2-ethyl-pyrazine mol-ecule, which form a tetra-hedral coordination environment. Two neighbouring Cu atoms have a short Cu⋯Cu contact [2.4662 (7) Å] and their coordination tetra-hedra are connected through a common edge between two C atoms of cyanide groups. Each Cu2(CN)2 unit, formed by two neighbouring Cu atoms bridged by two carbons from a pair of μ-CN groups, is connected to six FeII centres via two bridging 2-ethyl-pyrazine mol-ecules and four cyanide groups, resulting in the formation of a polymeric three-dimensional metal-organic coordination framework.

Keywords: bimetallic; copper(I); crystal structure; di­cyano­cuprate; ethyl­pyrazine; iron(II); metal–organic framework.

Grants and funding

This work was funded by Ministry of Education and Science of Ukraine grants 19BF037-01M and DZ/55-2018. H2020-MSCA-RISE-2016 grant 73422.