catena-Poly[[tris­(acetonitrile-κN)praseodymium(III)]tris­(μ-trifluoro­methane­sulfonato-κ2O:O′)]

Apostolidis, C.; Walter, O.

doi:10.1107/S1600536812049525

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 (C-C) = 0.008 Å
R = 0.036
wR = 0.076
Data-to-parameter ratio = 16.9
Details

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

Christos Apostolidis ^a and Olaf Walter ^a ^*⁺

^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 Pr^III 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 Pr^III atom is nine-coordinate in a distorted tricapped trigonal-prismatic environment.

Related literature

For the isostructural Eu^III and U^III compounds, see: Tang et al. (2011) and Natrajan et al. (2005), respectively.

Experimental

Crystal data

[Pr(CF₃O₃S)₃(C₂H₃N)₃]
M_r = 711.28
Triclinic, $[P \overline 1]$
a = 5.8044 (6) Å
b = 10.5062 (10) Å
c = 18.9887 (19) Å
= 97.307 (1)°
= 94.163 (1)°
= 91.695 (1)°
V = 1144.7 (2) Å³
Z = 2
Mo K radiation
= 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) T_min = 0.578, T_max = 0.978
20544 measured reflections
5251 independent reflections
4674 reflections with I > 2(I)
R_int = 0.039

Refinement

R[F² > 2(F²)] = 0.036
wR(F²) = 0.076
S = 1.16
5251 reflections
311 parameters
H-atom parameters constrained
_max = 1.04 e Å^-3
_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); cell refinement: SAINT (Bruker, 2007); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: XPMA (Zsolnai, 1996) and ORTEP-3 (Farrugia, 2012); software used to prepare material for publication: publCIF (Westrip, 2010).

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.
Natrajan, L., Mazzanti, M., Bezombes, J.-P. & Pecaut, J. (2005). Inorg. Chem. 44, 6115-6121.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.
Tang, S. (2011). Cryst. Growth Des. 11, 1437-1440.
Westrip, S. P. (2010). J. Appl. Cryst. 43, 920-925.
Zsolnai, L. (1996). XPMA. University of Heidelberg, Germany.

metal-organic compounds

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