Acta Crystallographica Section C

Crystal Structure Communications

Volume 58, Part 3 (March 2002)


HTML versionpdf versioncif file3d viewstructure factorssimilar papers buy article online

Acta Cryst. (2002). C58, m182-m185    [doi:10.1107/S010827010200152X]

A copper(II)-pyrazole complex cation with \bf \overline 3 imposed symmetry

T. Otieno, J. R. Blanton, M. J. Hatfield, S. L. Asher and S. Parkin

Abstract: The reaction of Cu(ClO4)2·6H2O, NaAsF6 and excess pyrazole yields hexakis(pyrazole-[bold kappa]N2)copper(II) bis(hexafluoroarsenate), [Cu(C3H4N2)6](AsF6)2 or [Cu(pzH)6](AsF6)2 (pzH is pyrazole), (I). The analogous hexakis(pyrazole-[bold kappa]N2)copper(II) hexafluorophosphate perchlorate complex, [Cu(C3H4N2)6](PF6)1.29(ClO4)0.71 or [Cu(pzH)6](PF6)1.29(ClO4)0.71, (II), is obtained in a similar fashion, using KPF6 in place of NaAsF6. Both compounds contain the hitherto unknown [Cu(pzH)6]2+ complex cation, in which the copper(II) ion lies at the center of a regular octahedron of coordinated N atoms. The cation has crystallographically imposed \overline 3 symmetry. The X-ray data indicate that the lack of the expected distortion can be accounted for by the presence of either static Jahn-Teller disorder or dynamic Jahn-Teller distortion.

Formula: [Cu(C3H4N2)6](AsF6)2 and [Cu(C3H4N2)6](PF6)1.29(ClO4)0.71

Online 20 February 2002

hkldisplay filedownload file

Structure factor file (CIF format) (54.8 kbytes)
Contains datablock I

hkldisplay filedownload file

Structure factor file (CIF format) (53.1 kbytes)
Contains datablock II

Notes:

To open or display or play some files, you may need to set your browser up to use the appropriate software. See the full list of file types for an explanation of the different file types and their related mime types and, where available links to sites from where the appropriate software may be obtained.

The download button will force most browsers to prompt for a file name to store the data on your hard disk.

Where possible, images are represented by thumbnails.

Copyright © International Union of Crystallography
IUCr Webmaster