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Volume 69 
Part 7 
Pages m422-m423  
July 2013  

Received 13 June 2013
Accepted 24 June 2013
Online 29 June 2013

Key indicators
Single-crystal X-ray study
T = 293 K
Mean [sigma](C-C) = 0.003 Å
R = 0.037
wR = 0.097
Data-to-parameter ratio = 12.8
Details
Open access

Poly[[mu]2-aqua-[mu]4-[1-(4-chlorophenyl)-4,4,4-trifluorobutane-1,3-dionato]-potassium]

aCEMDRX, Physics Department, University of Coimbra, P-3004-516 Coimbra, Portugal, and bChemistry Department, University of Coimbra, P-3004 Coimbra, Portugal
Correspondence e-mail: manuela@pollux.fis.uc.pt

In the title compound, [K(C10H5ClO2F3)(H2O)]n, the two independent K+ ions are located on a twofold rotation axis. For each of the cations, the distorted cubic coordination environment is defined by two F and four O atoms of symmetry-related 1,4-chlorophenyl-4,4,4-trifluorobutane-1,3-dionate anions and by two O atoms of water molecules. The [mu]4-bridging character of the anion and the [mu]2-bridging of the water molecule lead to the formation of layers parallel to (100). The coordinating water molecules are also involved in O-H...O hydrogen bonds that reinforce the molecular cohesion within the layers, which are stacked along [100]. The [beta]-diketonate anion is not planar, with an angle of 31.78 (10)° between the mean planes of the diketonate group and the chlorophenyl ring.

Related literature

For background to lanthanide complexes with diketonate ligands, see: Martín-Ramos et al. (2013a[Martín-Ramos, P., Coya, C., Alvarez, A. L., Ramos Silva, M., Zaldo, C., Paixão, J. A., Chamorro-Posada, P. & Martín-Gil, J. (2013a). J. Phys. Chem. C, 117, 10020-10030.],b[Martín-Ramos, P., Ramos-Silva, M., Coya, C., Zaldo, C., Alvarez, A. L., Alvarez-García, S., Matos-Beja, A. M. & Martín-Gil, J. (2013b). J. Mater. Chem. C, 1, 2725-2734.]).

[Scheme 1]

Experimental

Crystal data
  • [K(C10H5ClF3O2)(H2O)]

  • Mr = 306.71

  • Monoclinic, C 2/c

  • a = 30.164 (2) Å

  • b = 8.0739 (4) Å

  • c = 10.2696 (5) Å

  • [beta] = 98.752 (2)°

  • V = 2471.9 (2) Å3

  • Z = 8

  • Mo K[alpha] radiation

  • [mu] = 0.68 mm-1

  • T = 293 K

  • 0.20 × 0.11 × 0.08 mm

Data collection
  • Bruker APEX CCD area-detector diffractometer

  • Absorption correction: multi-scan (SADABS; Bruker, 2003[Bruker (2003). SADABS, SMART and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.]) Tmin = 0.830, Tmax = 0.999

  • 11396 measured reflections

  • 2182 independent reflections

  • 1559 reflections with I > 2[sigma](I)

  • Rint = 0.032

Refinement
  • R[F2 > 2[sigma](F2)] = 0.037

  • wR(F2) = 0.097

  • S = 1.01

  • 2182 reflections

  • 170 parameters

  • H atoms treated by a mixture of independent and constrained refinement

  • [Delta][rho]max = 0.19 e Å-3

  • [Delta][rho]min = -0.20 e Å-3

Table 1
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
O3-H1W...O2 0.82 (3) 1.90 (3) 2.709 (2) 173 (3)
O3-H2W...O1i 0.87 (3) 2.06 (3) 2.843 (3) 150 (2)
Symmetry code: (i) [-x, y, -z+{\script{1\over 2}}].

Data collection: SMART (Bruker, 2003[Bruker (2003). SADABS, SMART and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.]); cell refinement: SAINT (Bruker, 2003[Bruker (2003). SADABS, SMART 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: ORTEPII (Johnson, 1976[Johnson, C. K. (1976). ORTEPII. Report ORNL-5138. Oak Ridge National Laboratory, Tennessee, USA.]); software used to prepare material for publication: SHELXL97.


Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: WM2752 ).


Acknowledgements

This work was supported by the Fundo Europeu de Desenvolvimento Regional-QREN-COMPETE through projects PEst-C/FIS/UI0036/2011, PTDC/FIS/102284/2008, PTDC/AAC-CLI/098308/2008 and PTDC/AAC-CLI/118092/2010-Fundação para a Ciência e a Tecnologia (FCT).

References

Bruker (2003). SADABS, SMART and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.
Johnson, C. K. (1976). ORTEPII. Report ORNL-5138. Oak Ridge National Laboratory, Tennessee, USA.
Martín-Ramos, P., Coya, C., Alvarez, A. L., Ramos Silva, M., Zaldo, C., Paixão, J. A., Chamorro-Posada, P. & Martín-Gil, J. (2013a). J. Phys. Chem. C, 117, 10020-10030.
Martín-Ramos, P., Ramos-Silva, M., Coya, C., Zaldo, C., Alvarez, A. L., Alvarez-García, S., Matos-Beja, A. M. & Martín-Gil, J. (2013b). J. Mater. Chem. C, 1, 2725-2734.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [ChemPort] [IUCr Journals]


Acta Cryst (2013). E69, m422-m423   [ doi:10.1107/S1600536813017388 ]

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