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Volume 69 
Part 7 
Pages m395-m396  
July 2013  

Received 30 May 2013
Accepted 11 June 2013
Online 15 June 2013

Key indicators
Single-crystal X-ray study
T = 150 K
Mean [sigma](S-C) = 0.005 Å
Disorder in solvent or counterion
R = 0.051
wR = 0.138
Data-to-parameter ratio = 22.6
Details
Open access

cis-Dichloridotetrakis(dimethyl sulfoxide-[kappa]O)chromium(III) chloride dimethyl sulfoxide monosolvate

aDepartment of Chemistry, College of Science for Women, Baghdad University, Baghdad, Iraq,bDepartment of Chemistry, College of Science, Baghdad University, Baghdad, Iraq,cDepartment of Chemistry, College of Education (Ibn Al-Haitham), Baghdad University, Baghdad, Iraq, and dSchool of Chemistry, Cardiff University, Main Building, Park Place, Cardiff CF10 3AT, Wales
Correspondence e-mail: kariukib@cf.ac.uk

The structure of the title compound, [CrCl2(C2H6OS)4]Cl·C2H6OS, consists of a CrIII ion coordinated by four O atoms of dimethyl sulfoxide (DMSO) ligands and two chloride ions in cis positions, forming a distorted CrCl2O4 octahedron. An isolated Cl- counter-anion and a positionally disordered DMSO molecule [occupancy ratio 0.654 (4):0.346 (4)] are also present. In the structure, the complex cations interact with the Cl- counter-anions and the DMSO solvent molecules via weak C-H...Cl and C-H...O interactions, forming a three-dimensional network.

Related literature

For details of the synthetic procedure, see: Pedersen (1970[Pedersen, E. (1970). Acta Chem. Scand. 24, 3362-3372.]). For background to DMSO as a ligand, see: Boschmann & Wollaston (1982[Boschmann, E. & Wollaston, G. (1982). J. Chem. Educ. 59, 57-58.]).

[Scheme 1]

Experimental

Crystal data
  • [CrCl2(C2H6OS)4]Cl·C2H6OS

  • Mr = 548.99

  • Triclinic, [P \overline 1]

  • a = 9.4521 (2) Å

  • b = 11.0048 (3) Å

  • c = 12.9761 (2) Å

  • [alpha] = 100.501 (2)°

  • [beta] = 109.007 (1)°

  • [gamma] = 98.427 (1)°

  • V = 1223.62 (5) Å3

  • Z = 2

  • Mo K[alpha] radiation

  • [mu] = 1.24 mm-1

  • T = 150 K

  • 0.20 × 0.20 × 0.20 mm

Data collection
  • Nonius KappaCCD diffractometer

  • Absorption correction: multi-scan (DENZO and SCALEPACK; Otwinowski & Minor, 1997[Otwinowski, Z. & Minor, W. (1997). Methods in Enzymology, Vol. 276, Macromolecular Crystallography, Part A, edited by C. W. Carter Jr & R. M. Sweet, pp. 307-326. New York: Academic Press.]) Tmin = 0.790, Tmax = 0.790

  • 8105 measured reflections

  • 5946 independent reflections

  • 4673 reflections with I > 2[sigma](I)

  • Rint = 0.028

Refinement
  • R[F2 > 2[sigma](F2)] = 0.051

  • wR(F2) = 0.138

  • S = 1.11

  • 5946 reflections

  • 263 parameters

  • 104 restraints

  • H-atom parameters constrained

  • [Delta][rho]max = 0.60 e Å-3

  • [Delta][rho]min = -0.78 e Å-3

Table 1
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
C1-H1B...Cl3 0.98 2.78 3.682 (4) 154
C2-H2C...O5i 0.98 2.57 3.529 (14) 165
C3-H3B...Cl3ii 0.98 2.83 3.648 (5) 142
C4-H4B...Cl3ii 0.98 2.79 3.616 (4) 143
C4-H4C...O5 0.98 2.43 3.377 (13) 162
C8-H8C...Cl3iii 0.98 2.80 3.641 (5) 144
Symmetry codes: (i) -x+1, -y+1, -z+1; (ii) -x+2, -y+1, -z+1; (iii) -x+1, -y, -z+1.

Data collection: COLLECT (Nonius, 2000[Nonius (2000). COLLECT. Nonius BV, Delft, The Netherlands.]); cell refinement: SCALEPACK (Otwinowski & Minor, 1997[Otwinowski, Z. & Minor, W. (1997). Methods in Enzymology, Vol. 276, Macromolecular Crystallography, Part A, edited by C. W. Carter Jr & R. M. Sweet, pp. 307-326. New York: Academic Press.]); data reduction: DENZO (Otwinowski & Minor, 1997[Otwinowski, Z. & Minor, W. (1997). Methods in Enzymology, Vol. 276, Macromolecular Crystallography, Part A, edited by C. W. Carter Jr & R. M. Sweet, pp. 307-326. New York: Academic Press.]) and SCALEPACK; 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: ORTEP-3 for Windows (Farrugia, 2012[Farrugia, L. J. (2012). J. Appl. Cryst. 45, 849-854.]); software used to prepare material for publication: WinGX (Farrugia, 2012[Farrugia, L. J. (2012). J. Appl. Cryst. 45, 849-854.]) and ACD/Chemsketch (Advanced Chemistry Development, 2008[Advanced Chemistry Development (2008). ACD/Chemsketch. Advanced Chemistry Development Inc., Toronto, Ontario, Canada.]).


Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: WM2748 ).


Acknowledgements

The authors extend their appreciation to Cardiff University for supporting this research.

References

Advanced Chemistry Development (2008). ACD/Chemsketch. Advanced Chemistry Development Inc., Toronto, Ontario, Canada.
Altomare, A., Cascarano, G., Giacovazzo, C. & Guagliardi, A. (1993). J. Appl. Cryst. 26, 343-350.  [CrossRef] [Web of Science] [IUCr Journals]
Boschmann, E. & Wollaston, G. (1982). J. Chem. Educ. 59, 57-58.  [CrossRef] [ChemPort]
Farrugia, L. J. (2012). J. Appl. Cryst. 45, 849-854.  [Web of Science] [CrossRef] [ChemPort] [IUCr Journals]
Nonius (2000). COLLECT. Nonius BV, Delft, The Netherlands.
Otwinowski, Z. & Minor, W. (1997). Methods in Enzymology, Vol. 276, Macromolecular Crystallography, Part A, edited by C. W. Carter Jr & R. M. Sweet, pp. 307-326. New York: Academic Press.
Pedersen, E. (1970). Acta Chem. Scand. 24, 3362-3372.  [CrossRef] [ChemPort]
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [ChemPort] [IUCr Journals]


Acta Cryst (2013). E69, m395-m396   [ doi:10.1107/S160053681301622X ]

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