Acta Crystallographica Section C

Crystal Structure Communications

Volume 61, Part 8 (August 2005)

metal-organic compounds


HTML versionpdf versioncif file3d viewstructure factorssimilar papers buy article online

av1248 scheme

Acta Cryst. (2005). C61, m376-m379    [doi:10.1107/S0108270105018913]

Transition metal complexes with pyrazole-based ligands. XXII. Di-[bold mu]-thiocyanato-bis[(3,5-dimethyl-1H-pyrazole-1-carboxamidine-[bold kappa]2N,N')(thiocyanato-[bold kappa]N)copper(II)] and a redetermination of bis(3,5-dimethyl-1H-pyrazole-1-carboxamidine-[bold kappa]2N,N')bis(nitrato-[bold kappa]O)copper(II)

G. A. Bogdanovic, Z. K. Jacimovic and V. M. Leovac

Abstract: The title CuII complex, [Cu2(NCS)4(C6H10N4)2], represents the first crystal structure of a polynuclear transition metal complex with the 3,5-dimethyl-1H-pyrazole-1-carboxamidine ligand (HL). It is compared with previously reported crystal structures of metal complexes with the same HL ligand. The molecule contains an eight-membered binuclear Cu2(NCS)2 ring, which is centrosymmetric and in a chair conformation. The Cu atom has a distorted square-pyramidal geometry with a very elongated Cu-S bond of 2.993  (2)  Å. The crystal structure redetermination of the bis(3,5-dimethyl-1H-pyrazole-1-carboxamidine-[bold kappa]2N,N')bis(nitrato-[bold kappa]O)copper(II)complex, [Cu(NO3)2(C6H10N4)2], and analysis of its hydrogen bonds confirm the significance of the NO3 groups in the formation of a three-dimensional hydrogen-bonding network. Both complexes are centrosymmetric, the inversion centre being located at the mid-point of the Cu...Cu line in (I) and the Cu atom being located at the inversion centre in (II).

Formula: [Cu2(NCS)4(C6H10N4)2] and [Cu(NO3)2(C6H10N4)2]

hkldisplay filedownload file

Structure factor file (CIF format) (129.1 kbytes)
Contains datablock I

hkldisplay filedownload file

Structure factor file (CIF format) (129.4 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.

 bibliographic record in  format

other supplementary material

If the supplementary material that you require is not shown in the list above, it may only be available in our hard-copy archive. However, our policy is to progressively digitize old hard-copy supplementary documents where possible.

Please help us to work towards this goal by completing the form below. This will register your wish to receive a supplementary document, which we shall scan to create a PDF and then make available via the web to you and to other requestors in the future.

SUP

Please identify the article from which this was referenced, if known:


Journal Volume First Page 

Important: Please check carefully that the paper information (journal, volume and first page number) above corresponds to the SUP number you supplied.

Please supply some information about yourself:

Name
E-mail

Address

E-mail me when the PDF document is available so that I can download it.
Send the hard-copy print to me by normal mail

  
  Find reference:   Volume   Page   
  Search:     From   to      Advanced search

Copyright © International Union of Crystallography
IUCr Webmaster