Abstract
The title three-dimensional coordination network, {[Er(C4H4N2O2)4](ClO4)3}n, is isostructural to that of other lanthanides. The Er+3 cation lies on a fourfold roto-inversion axis. It is coordinated in a distorted square-antiprismatic fashion by eight O atoms from bridging pyrazine N,N′-dioxide ligands. There are two unique pyrazine N,N′-dioxide ligands. One ring is located around an inversion center, and there is a a twofold rotation axis at the center of the other ring. There are also two unique perchlorate anions. One is centered on a twofold rotation axis and the other on a fourfold roto-inversion axis. The perchlorate anions are located in channels that run perpendicular to (001) and (110) and interact with the coordination network through C—H⋯O hydrogen bonds.
Highlights
Z=8 Mo K radiation = 3.66 mmÀ1 T = 100 K 0.44 Â 0.44 Â 0.18 mm 27002 measured reflections 1997 independent reflections 1775 reflections with I > 2(I) Rint = 0.024
The Er+3 cation lies on a fourfold roto-inversion axis. It is coordinated in a distorted square-antiprismatic fashion by eight O atoms from bridging pyrazine N,N0-dioxide ligands
One ring is located around an inversion center, and there is a a twofold rotation axis at the center of the other ring
Summary
James D. Buchner, Benjamin G. Quinn-Elmore, Keith B. Beach and Jacqueline M. Knaust* Key indicators: single-crystal X-ray study; T = 100 K; mean (C–C) = 0.003 A; R factor = 0.032; wR factor = 0.092; data-to-parameter ratio = 18.2. Crystal data [Er(C4H4N2O2)4](ClO4)3 Mr = 913.98 Tetragonal, I41=acd a = 15.1777 (4) Ac = 22.5094 (12) A V = 5185.3 (3) A 3
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