Dichloridobis[3-meth-oxy-methyl-4-phenyl-5-(2-pyrid-yl)-4H-1,2,4-triazole-κN,N]chromium(III) chloride.

Xiaofei Jin,Shouping Cao,Zuoxiang Wang

doi:10.1107/s1600536811039328

Xiaofei Jin, Shouping Cao + Show 1 more

Open Access

https://doi.org/10.1107/s1600536811039328

Copy DOI

Abstract

In the title complex, [CrCl2(C15H14N4O)2]Cl, the CrIII atom is located on a twofold rotation axis and is coordinated by two N,N′-bidentate triazole derivatives and two chloride ions in a distorted octahedral CrN2N′2Cl2 geometry. One of the two independent Cl− counter-anions sits on a special position (site symmetry .) and is fully occupied, whereas the other is disordered around a twofold rotation axis over two positions in a 2:3 ratio.

Highlights

In the title complex, [CrCl2(C15H14N4O)2]Cl, the CrIII atom is located on a twofold rotation axis and is coordinated by two
One of the two independent Cl counter-anions sits on a special position and is fully occupied, whereas the other is disordered around a twofold rotation axis over two positions in a 2:3 ratio
R-factors based on F2 are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger

Summary

Bruker APEXII CCD diffractometer

Key indicators: single-crystal X-ray study; T = 296 K; mean (C–C) = 0.005 Å; disorder in solvent or counterion; R factor = 0.039; wR factor = 0.119; data-toparameter ratio = 13.1. Symmetry code: (i) y þ 13; x 13; z þ 16. In the title complex, [CrCl2(C15H14N4O)2]Cl, the CrIII atom is located on a twofold rotation axis and is coordinated by two. N,N0 -bidentate triazole derivatives and two chloride ions in a distorted octahedral CrN2N0 2Cl2 geometry. One of the two independent Cl counter-anions sits on a special position (site symmetry 3.) and is fully occupied, whereas the other is disordered around a twofold rotation axis over two positions in a 2:3 ratio

For general background to the coordination chemistry of

Special details