Acta Crystallographica Section C

Crystal Structure Communications

Volume 64, Part 11 (November 2008)

metal-organic compounds

sf3082 scheme

Acta Cryst. (2008). C64, m358-m361 [ doi:10.1107/S0108270108026413 ]

Disordering of the [NbOF₅]^2- complex anions in bis(glycinium) pentafluoridooxidoniobate(V) and bis(-alaninium) pentafluoridooxidoniobate(V) dihydrate

A. V. Gerasimenko, M. A. Pushilin and R. L. Davidovich

Abstract: The title compounds, (C₂H₆NO₂)₂[NbOF₅], (I), and (C₃H₈NO₂)₂[NbOF₅]·2H₂O, (II), are built from isolated distorted octahedral [NbOF₅]^2- complex anions, amino acid cations and water molecules [for (II)]. In the pentafluoridooxidoniobate(V) anions, the Nb and O atoms, and the F atoms in trans positions with respect to the O atoms, are disordered about an inversion centre for both structures. The Nb atoms are shifted from the inversion centres by distances of 0.1455 (1) and 0.1263 (2) Å for (I) and (II), respectively. The Nb=O and Nb-F(trans) bond lengths are 1.7952 (3) and 2.0862 (3) Å, respectively, for (I), and 1.8037 (7) and 2.0556 (7) Å for (II). In the crystal structures, cations and water molecules [for (II)] are linked to the [NbOF₅]^2- anions via hydrogen bonds. This study demonstrates the possibility of true geometry determination of disordered [NbOF₅]^2- complex anions in centrosymmetric structures.

Formula: (C₂H₆NO₂)₂[NbOF₅] and (C₃H₈NO₂)₂[NbOF₅]·2H₂O


	Structure factor file (CIF format) (270.5 kbytes) [ doi:10.1107/S0108270108026413/sf3082Isup2.hkl ] Contains datablock I

	Structure factor file (CIF format) (108.9 kbytes) [ doi:10.1107/S0108270108026413/sf3082IIsup3.hkl ] 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.

Search: From to Advanced search