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Volume 64 
Part 1 
Page i5  
January 2008  

Received 4 October 2007
Accepted 10 December 2007
Online 18 December 2007


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© International Union of Crystallography 2008

Key indicators
Single-crystal X-ray study
T = 141 K
Mean [sigma](Pu-O) = 0.004 Å
R = 0.015
wR = 0.037
Data-to-parameter ratio = 26.3
Details

Dicaesium tetrachloridodioxidoplutonate(VI)

Marianne P. Wilkersona* and Brian L. Scottb

aC-ADI, MS J565, Los Alamos National Laboratory, Los Alamos, New Mexico 87545 USA, and bMPA-MC, MS J514, Los Alamos National Laboratory, Los Alamos, New Mexico 87545 USA
Correspondence e-mail: mpw@lanl.gov

The anion of the title complex, Cs2[PuCl4O2], adopts a pseudo-octahedral geometry (2/m crystallographic site symmetry) with two plutonyl oxide ligands in axial sites and four chloride ligands occupying the equatorial plane. Charge balance is maintained by two caesium cations per tetrachloridodioxidoplutonate(VI) anion. Principal bond lengths include Pu-O = 1.752 (3) Å and Pu-Cl = 2.6648 (8) Å.

Related literature

For related literature, see: Hall et al. (1966[Hall, D., Rae, A. D. & Waters, T. N. (1966). Acta Cryst. 20, 160-162.]); Watkin et al. (1991[Watkin, D. J., Denning, R. G. & Prout, K. (1991). Acta Cryst. C47, 2517-2519.]); Wilkerson et al. (2004[Wilkerson, M. P., Dewey, H. J., Gordon, P. L. & Scott, B. L. (2004). J. Chem. Crystallogr. 34, 807-811.]); Wilkerson et al. (2007[Wilkerson, M. P., Arrington, C. A., Berg, J. M. & Scott, B. L. (2007). J. Alloys Compd. 444-445, 634-639.]); Bean et al. (2004[Bean, A. C., Albrecht-Schmitt, T. E. & Runde, W. (2004). J. Solid State Chem. 177, 1346-1351.], 2005[Bean, A. C., Abney, K., Scott, B. L. & Runde, W. (2005). Inorg. Chem. 44, 5209-5211.]); Grenthe et al. (2006[Grenthe, I., Drozdzynski, J., Fujino, T., Buck, E. C., Albrecht-Schmitt, T. E. & Wolf, S. F. (2006). The Chemistry of the Actinide and Transactinide Elements, Vol. 1, ch. 5, edited by L. R. Morrs, N. M. Edelstein, J. Fuger & J. J. Katz, 3rd ed., p. 578. Dordrecht: Springer.]); Grigoriev et al. (2004[Grigoriev, M. S., Antipin, M. Yu., Krot, N. N. & Bessonov, A. A. (2004). Radiochim. Acta, 92, 405-409.]); Runde et al. (2003[Runde, W., Bean, A. C., Albrecht-Schmitt, T. E. & Scott, B. L. (2003). Chem. Commun. pp. 478-479.]); Sessler et al. (2002[Sessler, J. L., Gorden, A. E. V., Seidel, D., Hannah, S., Lynch, V., Gordon, P. L., Donohoe, R. J., Tait, C. D. & Keogh, D. W. (2002). Inorg. Chim. Acta, 341, 54-70.]).

[Scheme 1]

Experimental

Crystal data

  • Cs2[PuCl4O2]

  • Mr = 678.67

  • Monoclinic, C 2/m

  • a = 11.9489 (7) Å

  • b = 7.7286 (5) Å

  • c = 5.7855 (4) Å

  • [beta] = 96.439 (1)°

  • V = 530.91 (6) Å3

  • Z = 2

  • Mo K[alpha] radiation

  • [mu] = 13.92 mm-1

  • T = 141 (2) K

  • 0.22 × 0.18 × 0.12 mm
Data collection

  • Bruker APEXII CCD diffractometer

  • Absorption correction: multi-scan (SADABS; Sheldrick, 2001[Sheldrick, G. M. (2001). SADABS. University of Göttingen, Germany.]) Tmin = 0.150, Tmax = 0.286 (expected range = 0.099-0.188)

  • 3212 measured reflections

  • 711 independent reflections

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

  • Rint = 0.025
Refinement

  • R[F2 > 2[sigma](F2)] = 0.015

  • wR(F2) = 0.037

  • S = 1.26

  • 711 reflections

  • 27 parameters

  • [Delta][rho]max = 0.78 e Å-3

  • [Delta][rho]min = -0.64 e Å-3

Data collection: APEX2 (Bruker, 2003[Bruker (2003). APEX2. Version 1.08. Bruker AXS Inc., Madison, Wisconsin, USA.]); cell refinement: SAINT-Plus (Bruker, 2001[Bruker (2001). SAINT-Plus. Version 7.06. Bruker AXS Inc., Madison, Wisconsin, USA.]); data reduction: SAINT-Plus; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997[Sheldrick, G. M. (1997). SHELXS97 and SHELXL97. University of Göttingen, Germany.]); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997[Sheldrick, G. M. (1997). SHELXS97 and SHELXL97. University of Göttingen, Germany.]); molecular graphics: SHELXTL (Bruker, 2000[Bruker (2000). SHELXTL. Version 6.10. Bruker AXS Inc., Madison, Wisconsin, USA.]); software used to prepare material for publication: SHELXTL.

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: FI2048 ).

Acknowledgements

We thank Mr Phillip Palmer and Mr Sean D. Reilly for technical assistance. This research at Los Alamos National Laboratory was supported by NA-22, Office of Nonproliferation Research and Engineering, US Department of Energy, National Nuclear Security Administration (NNSA), and Office of Basic Energy Sciences, US Department of Energy. Los Alamos National Laboratory is operated by Los Alamos National Security, LLC for the US Department of Energy, NNSA under contract number DE-AC52-06NA25396.

References

Bean, A. C., Abney, K., Scott, B. L. & Runde, W. (2005). Inorg. Chem. 44, 5209-5211.
Bean, A. C., Albrecht-Schmitt, T. E. & Runde, W. (2004). J. Solid State Chem. 177, 1346-1351.
Bruker (2000). SHELXTL. Version 6.10. Bruker AXS Inc., Madison, Wisconsin, USA.
Bruker (2001). SAINT-Plus. Version 7.06. Bruker AXS Inc., Madison, Wisconsin, USA.
Bruker (2003). APEX2. Version 1.08. Bruker AXS Inc., Madison, Wisconsin, USA.
Grenthe, I., Drozdzynski, J., Fujino, T., Buck, E. C., Albrecht-Schmitt, T. E. & Wolf, S. F. (2006). The Chemistry of the Actinide and Transactinide Elements, Vol. 1, ch. 5, edited by L. R. Morrs, N. M. Edelstein, J. Fuger & J. J. Katz, 3rd ed., p. 578. Dordrecht: Springer.
Grigoriev, M. S., Antipin, M. Yu., Krot, N. N. & Bessonov, A. A. (2004). Radiochim. Acta, 92, 405-409.
Hall, D., Rae, A. D. & Waters, T. N. (1966). Acta Cryst. 20, 160-162.
Runde, W., Bean, A. C., Albrecht-Schmitt, T. E. & Scott, B. L. (2003). Chem. Commun. pp. 478-479.
Sessler, J. L., Gorden, A. E. V., Seidel, D., Hannah, S., Lynch, V., Gordon, P. L., Donohoe, R. J., Tait, C. D. & Keogh, D. W. (2002). Inorg. Chim. Acta, 341, 54-70.
Sheldrick, G. M. (1997). SHELXS97 and SHELXL97. University of Göttingen, Germany.
Sheldrick, G. M. (2001). SADABS. University of Göttingen, Germany.
Watkin, D. J., Denning, R. G. & Prout, K. (1991). Acta Cryst. C47, 2517-2519.
Wilkerson, M. P., Arrington, C. A., Berg, J. M. & Scott, B. L. (2007). J. Alloys Compd. 444-445, 634-639.
Wilkerson, M. P., Dewey, H. J., Gordon, P. L. & Scott, B. L. (2004). J. Chem. Crystallogr. 34, 807-811.

Acta Cryst (2008). E64, i5  [ doi:10.1107/S1600536807066354 ]