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Volume 69 
Part 2 
Page i13  
February 2013  

Received 14 December 2012
Accepted 16 January 2013
Online 23 January 2013

Key indicators
Single-crystal X-ray study
T = 293 K
Mean [sigma](Cr-O) = 0.005 Å
H completeness 0%
R = 0.040
wR = 0.110
Data-to-parameter ratio = 15.5
Details
Open access

Dihydronium tetrachromate(VI), (H3O)2Cr4O13

aInstitut für Anorganische Chemie, Universität zu Köln, Greinstrasse 6, D-50939 Köln, Germany
Correspondence e-mail: gerd.meyer@uni-koeln.de

The crystal structure of (H3O)2Cr4O13 is isotypic with K2Cr4O13. The finite tetrachromate anion in the title structure consists of four vertex-sharing CrO4 tetrahedra and exhibits a typical zigzag arrangement. The crystal packing is stabilized by hydrogen bonds between these anions and hydronium cations. The two different hydronium cations are surrounded by nine O atoms of tetrachromate anions, with O...O distances ranging between 2.866 (8) and 3.282 (7) Å.

Related literature

The title chromate is isotypic with its potassium analogue (Casari & Langer, 2005[Casari, B. M. & Langer, V. (2005). Acta Cryst. C61, i117-i119.]). Löfgren (1973[Löfgren, P. (1973). Acta Cryst. B29, 2141-2147.]) and Kolitsch (2004[Kolitsch, U. (2004). Acta Cryst. C60, i17-i19.]) determined the structures of the corresponding Rb and Cs salts, respectively. For industrial applications of tetrachromates, see: Cainelli & Cardillo (1984[Cainelli, G. & Cardillo, G. (1984). In Chromium Oxidations in Organic Chemistry. Berlin: Springer.]); Çengeloglu et al. (2003[Çengeloglu, Y., Tor, A., Kir, E. & Ersöz, M. (2003). Desalination, 154, 239-246.]). For related bond-length data, see: Casari et al. (2007[Casari, B. M., Eriksson, A. K. & Langer, V. (2007). Z. Naturforsch. Teil B, 62, 771-777.]). For cell parameters of further isolated compounds stated in the experimental procedure, see: Durif & Averbuch-Pouchot (1978[Durif, A. & Averbuch-Pouchot, M. T. (1978). Acta Cryst. B34, 3335-3337.]) and Rahman et al. (2003[Rahman, A. A., Usman, A., Chantrapromma, S. & Fun, H.-K. (2003). Acta Cryst. C59, i92-i94.]).

Experimental

Crystal data
  • (H3O)2Cr4O13

  • Mr = 454.05

  • Monoclinic, P c

  • a = 8.9765 (13) Å

  • b = 7.6431 (8) Å

  • c = 9.3451 (14) Å

  • [beta] = 91.888 (18)°

  • V = 640.80 (15) Å3

  • Z = 2

  • Mo K[alpha] radiation

  • [mu] = 3.37 mm-1

  • T = 293 K

  • 1.0 × 0.4 × 0.2 mm

Data collection
  • Stoe IPDS I diffractometer

  • Absorption correction: numerical [X-RED (Stoe & Cie, 2001[Stoe & Cie (2001). X-RED. Stoe & Cie, Darmstadt, Germany.]) and X-SHAPE (Stoe & Cie, 1999[Stoe & Cie (1999). X-SHAPE. Stoe & Cie, Darmstadt, Germany.])] Tmin = 0.121, Tmax = 0.314

  • 5900 measured reflections

  • 2696 independent reflections

  • 2497 reflections with I > 2[sigma](I)

  • Rint = 0.040

Refinement
  • R[F2 > 2[sigma](F2)] = 0.040

  • wR(F2) = 0.110

  • S = 1.06

  • 2696 reflections

  • 174 parameters

  • 2 restraints

  • [Delta][rho]max = 0.69 e Å-3

  • [Delta][rho]min = -0.58 e Å-3

  • Absolute structure: Flack (1983[Flack, H. D. (1983). Acta Cryst. A39, 876-881.]), 1212 Friedel pairs

  • Flack parameter: 0.53 (4)

Data collection: IPDS (Stoe & Cie, 1997[Stoe & Cie (1997). IPDS. Stoe & Cie, Darmstadt, Germany.]); cell refinement: IPDS; data reduction: IPDS; program(s) used to solve structure: SIR92 (Altomare et al., 1993[Altomare, A., Cascarano, G., Giacovazzo, C. & Guagliardi, A. (1993). J. Appl. Cryst. 26, 343-350.]); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); molecular graphics: DIAMOND (Crystal Impact, 2012[Crystal Impact (2012). DIAMOND. Crystal Impact GbR, Bonn, Germany.]); software used to prepare material for publication: SHELXL97.


Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: WM2714 ).


Acknowledgements

VK is grateful to the Studienstiftung des Deutschen Volkes for a PhD scholarship.

References

Altomare, A., Cascarano, G., Giacovazzo, C. & Guagliardi, A. (1993). J. Appl. Cryst. 26, 343-350.  [CrossRef] [ISI] [details]
Cainelli, G. & Cardillo, G. (1984). In Chromium Oxidations in Organic Chemistry. Berlin: Springer.
Casari, B. M., Eriksson, A. K. & Langer, V. (2007). Z. Naturforsch. Teil B, 62, 771-777.  [ChemPort]
Casari, B. M. & Langer, V. (2005). Acta Cryst. C61, i117-i119.  [CrossRef] [details]
Çengeloglu, Y., Tor, A., Kir, E. & Ersöz, M. (2003). Desalination, 154, 239-246.
Crystal Impact (2012). DIAMOND. Crystal Impact GbR, Bonn, Germany.
Durif, A. & Averbuch-Pouchot, M. T. (1978). Acta Cryst. B34, 3335-3337.  [CrossRef] [details] [ISI]
Flack, H. D. (1983). Acta Cryst. A39, 876-881.  [CrossRef] [details]
Kolitsch, U. (2004). Acta Cryst. C60, i17-i19.  [CrossRef] [details]
Löfgren, P. (1973). Acta Cryst. B29, 2141-2147.  [CrossRef] [details] [ISI]
Rahman, A. A., Usman, A., Chantrapromma, S. & Fun, H.-K. (2003). Acta Cryst. C59, i92-i94.  [CrossRef] [details]
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]
Stoe & Cie (1997). IPDS. Stoe & Cie, Darmstadt, Germany.
Stoe & Cie (1999). X-SHAPE. Stoe & Cie, Darmstadt, Germany.
Stoe & Cie (2001). X-RED. Stoe & Cie, Darmstadt, Germany.


Acta Cryst (2013). E69, i13  [ doi:10.1107/S1600536813001608 ]

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