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Volume 69 
Part 1 
Page m21  
January 2013  

Received 26 November 2012
Accepted 3 December 2012
Online 8 December 2012

Key indicators
Single-crystal X-ray study
T = 103 K
Mean [sigma](C-C) = 0.008 Å
R = 0.036
wR = 0.076
Data-to-parameter ratio = 16.9
Details
Open access

catena-Poly[[tris(acetonitrile-[kappa]N)praseodymium(III)]tris([mu]-trifluoromethanesulfonato-[kappa]2O:O')]

aEuropean Commission, Joint Research Centre, Institute for Transuranium Elements, Hermann-von-Helmholtz-Platz 1, 76344 Eggenstein-Leopoldshafen, Germany
Correspondence e-mail: olaf.walter@ec.europa.eu

In the colourless title compound, [Pr(CF3O3S)3(CH3CN)3]n, the three trifluoromethanesulfonate anions form three bridges via O:O'-coordination between two PrIII atoms. The structure contains [Pr(NCMe)3-[mu]2(OTf)3-Pr(NCMe)3-[mu]2(OTf)3]n (NCMe is acetonitrile; OTf is trifluoromethanesulfonate) chains parallel to the a axis. The PrIII atom is nine-coordinate in a distorted tricapped trigonal-prismatic environment.

Related literature

For the isostructural EuIII and UIII compounds, see: Tang et al. (2011[Tang, S. (2011). Cryst. Growth Des. 11, 1437-1440.]) and Natrajan et al. (2005[Natrajan, L., Mazzanti, M., Bezombes, J.-P. & Pecaut, J. (2005). Inorg. Chem. 44, 6115-6121.]), respectively.

[Scheme 1]

Experimental

Crystal data
  • [Pr(CF3O3S)3(C2H3N)3]

  • Mr = 711.28

  • Triclinic, [P \overline 1]

  • a = 5.8044 (6) Å

  • b = 10.5062 (10) Å

  • c = 18.9887 (19) Å

  • [alpha] = 97.307 (1)°

  • [beta] = 94.163 (1)°

  • [gamma] = 91.695 (1)°

  • V = 1144.7 (2) Å3

  • Z = 2

  • Mo K[alpha] radiation

  • [mu] = 2.52 mm-1

  • T = 103 K

  • 0.24 × 0.02 × 0.01 mm

Data collection
  • Bruker APEXII Quazar diffractometer

  • Absorption correction: multi-scan (SADABS; Bruker, 2001[Bruker (2001). SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.]) Tmin = 0.578, Tmax = 0.978

  • 20544 measured reflections

  • 5251 independent reflections

  • 4674 reflections with I > 2[sigma](I)

  • Rint = 0.039

Refinement
  • R[F2 > 2[sigma](F2)] = 0.036

  • wR(F2) = 0.076

  • S = 1.16

  • 5251 reflections

  • 311 parameters

  • H-atom parameters constrained

  • [Delta][rho]max = 1.04 e Å-3

  • [Delta][rho]min = -1.15 e Å-3

Table 1
Selected bond lengths (Å)

Pr1-O1i 2.435 (3)
Pr1-O2 2.464 (3)
Pr1-O4i 2.455 (3)
Pr1-O5 2.464 (3)
Pr1-O7 2.459 (3)
Pr1-O8i 2.473 (3)
Pr1-N1 2.621 (4)
Pr1-N2 2.648 (4)
Pr1-N3 2.651 (4)
Symmetry code: (i) x+1, y, z.

Data collection: APEX2 (Bruker, 2007[Bruker (2007). APEX and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.]); cell refinement: SAINT (Bruker, 2007[Bruker (2007). APEX and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.]); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); molecular graphics: XPMA (Zsolnai, 1996[Zsolnai, L. (1996). XPMA. University of Heidelberg, Germany.]) and ORTEP-3 (Farrugia, 2012[Farrugia, L. J. (2012). J. Appl. Cryst. 45, 849-854.]); software used to prepare material for publication: publCIF (Westrip, 2010[Westrip, S. P. (2010). J. Appl. Cryst. 43, 920-925.]).


Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: VN2063 ).


References

Bruker (2001). SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.
Bruker (2007). APEX and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.
Farrugia, L. J. (2012). J. Appl. Cryst. 45, 849-854.  [ISI] [CrossRef] [ChemPort] [details]
Natrajan, L., Mazzanti, M., Bezombes, J.-P. & Pecaut, J. (2005). Inorg. Chem. 44, 6115-6121.  [ISI] [CSD] [CrossRef] [PubMed] [ChemPort]
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]
Tang, S. (2011). Cryst. Growth Des. 11, 1437-1440.  [CrossRef] [ChemPort]
Westrip, S. P. (2010). J. Appl. Cryst. 43, 920-925.  [ISI] [CrossRef] [ChemPort] [details]
Zsolnai, L. (1996). XPMA. University of Heidelberg, Germany.


Acta Cryst (2013). E69, m21  [ doi:10.1107/S1600536812049525 ]

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