Abstract
In the crystal structure of the title compound, [Co(NCO)2(C4H4N2)2]n, the Co(II) cation is coordinated by four N-bonded pyrazine ligands and two N-bonded cyanate anions in a slightly distorted octahedral geometry. The crystal structure consists of μ-N:N′ pyrazine-bridged cobalt cyanate chains; these are further linked by additional μ-N:N′-bridging pyrazine ligands into layers, which are stacked perpendicular to the crystallographic a axis. The C and O atoms in both crystallographic independent cyanate anions are disordered in two orientations and were refined using a split model with site occupation factor ratios of 0.75/0.25 and 0.7/0.3.
Highlights
In the crystal structure of the title compound, [Co(NCO)2(C4H4N2)2]n, the Co(II) cation is coordinated by four Nbonded pyrazine ligands and two N-bonded cyanate anions in a slightly distorted octahedral geometry
The crystal structure consists of -N:N0 pyrazine-bridged cobalt cyanate chains; these are further linked by additional -N:N0 -bridging pyrazine ligands into layers, which are stacked perpendicular to the crystallographic a axis
The C and O atoms in both crystallographic independent cyanate anions are disordered in two orientations and were refined using a split model with site occupation factor ratios of 0.75/0.25 and 0.7/0.3
Summary
Institut für Anorganische Chemie, Christian-Albrechts-Universität Kiel, Max-EythStrasse 2, D-24118 Kiel, Germany. Key indicators: single-crystal X-ray study; T = 170 K; mean (C–C) = 0.005 Å; disorder in main residue; R factor = 0.051; wR factor = 0.139; data-to-parameter ratio = 13.6. In the crystal structure of the title compound, [Co(NCO)2(C4H4N2)2]n, the Co(II) cation is coordinated by four Nbonded pyrazine ligands and two N-bonded cyanate anions in a slightly distorted octahedral geometry. The crystal structure consists of -N:N0 pyrazine-bridged cobalt cyanate chains; these are further linked by additional -N:N0 -bridging pyrazine ligands into layers, which are stacked perpendicular to the crystallographic a axis. The C and O atoms in both crystallographic independent cyanate anions are disordered in two orientations and were refined using a split model with site occupation factor ratios of 0.75/0.25 and 0.7/0.3. Data collection: X-AREA (Stoe & Cie, 2008); cell refinement: XAREA; data reduction: X-AREA; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: XP in SHELXTL (Sheldrick, 2008); software used to prepare material for publication: XCIF in SHELXTL
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