Di-μ-chlorido-bis­[diacetonitrile­chlorido­oxidovanadium(IV)]

Dastych, D.; Rotter, P.; Demo, G.; Dastychová, L.

doi:10.1107/S1600536811037184

Volume 67
Part 10
Page m1398
October 2011

Received 18 August 2011
Accepted 13 September 2011
Online 17 September 2011

Key indicators
Single-crystal X-ray study
T = 120 K
Mean (C-C) = 0.006 Å
R = 0.031
wR = 0.103
Data-to-parameter ratio = 16.5
Details

Di--chlorido-bis[diacetonitrilechloridooxidovanadium(IV)]

Dalibor Dastych,^a ^* Pavel Rotter,^b Gabriel Demo ^b and Lenka Dastychová ^a

^aDepartment of Chemistry, Faculty of Technology, Tomas Bata University in Zlin, Nam. T. G. Masaryka 275 Zlin, 762 72, Czech Republic, and ^bDepartment of Chemistry, Faculty of Science, Masaryk University, Kamenice 5 Brno-Bohunice, 625 00, Czech Republic
Correspondence e-mail: dastych@gmail.com

The title compound, [V₂Cl₄O₂(CH₃CN)₄], is a centrosymmetric dinuclear V^IV complex associated with four molecules of acetonitrile. The coordination around both V^IV atoms is essentially square-planar, involving three Cl atoms and one O atom [maximum deviation = 0.017 (3) Å for the O atom]. The augmented octahedral coordination of the metal atom is completed by the N atoms of acetonitrile ligands. The V^IV atoms are linked by two Cl atoms, acting as bridging atoms. The crystal studied was a non-merohedral twin with a ratio of the two twin components of 0.8200 (3):0.1800 (3). Although Cl and O atoms are present as potential acceptors in the title compound, no hydrogen bonds were observed in the crystal structure.

Related literature

For the biological activity of vanadium(IV) compounds, see: D'Cruz et al. (2003); Lopez et al. (1976); Lu et al. (2001); Shi et al. (1996). For Ziegler-Natta catalysts, see: Hagen et al. (2002). For the synthesis of chloridooxidovanadium(IV) complexes, see: du Preez & Sadle (1967); Homden et al. (2009); Kern (1962); Papoutsakis et al. (2004); Priebsch & Rehder (1990).

Experimental

Crystal data

[V₂Cl₄O₂(C₂H₃N)₄]
M_r = 439.90
Triclinic, $[P \overline 1]$
a = 7.0242 (6) Å
b = 8.1388 (6) Å
c = 8.7118 (5) Å
= 86.536 (6)°
= 66.806 (7)°
= 74.374 (7)°
V = 440.28 (6) Å³
Z = 1
Mo K radiation
= 1.67 mm^-1
T = 120 K
0.30 × 0.20 × 0.15 mm

Data collection

Oxford Diffraction Xcalibur Sapphire2 diffractometer
Absorption correction: multi-scan (CrysAlis RED; Oxford Diffraction, 2009 $[Oxford Diffraction (2009). CrysAlis RED and CrysAlis CCD. Oxford Diffraction Ltd, Yarnton, England.]$ ) T_min = 0.804, T_max = 1.000
1550 measured reflections
1550 independent reflections
1432 reflections with I > 2(I)

Refinement

R[F² > 2(F²)] = 0.031
wR(F²) = 0.103
S = 1.25
1550 reflections
94 parameters
H-atom parameters constrained
_max = 0.47 e Å^-3
_min = -0.51 e Å^-3

Data collection: CrysAlis CCD (Oxford Diffraction, 2009 $[Oxford Diffraction (2009). CrysAlis RED and CrysAlis CCD. Oxford Diffraction Ltd, Yarnton, England.]$ ); cell refinement: CrysAlis RED (Oxford Diffraction, 2009 $[Oxford Diffraction (2009). CrysAlis RED and CrysAlis CCD. Oxford Diffraction Ltd, Yarnton, England.]$ ); data reduction: CrysAlis RED; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008) and PLATON (Spek, 2009); molecular graphics: Mercury (Macrae et al., 2008); software used to prepare material for publication: SHELXL97.

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: RU2013 ).

References

D'Cruz, O. J., Dong, Y. H. & Uckun, F. M. (2003). Biochem. Biophys. Res. Commun. 302, 253-264.
Hagen, H., Boersma, J. & van Koten, G. (2002). Chem. Soc. Rev. 31, 357-364.
Homden, D., Redshaw, C., Warford, L., Hughes, D. L., Wright, J. A., Dale, S. H. & Elsegood, M. R. J. (2009). Dalton Trans. pp. 8900-8910.
Kern, R. J. (1962). J. Inorg. Nucl. Chem. 24, 1105-1109.
Lopez, V., Stevens, T. & Lindquist, R. N. (1976). Arch. Biochem. Biophys. 175, 31-38.
Lu, B., Enni, D., Lai, R., Bogdanovic, E., Nikolov, R., Salamon, L., Fantus, C., Le-Tien, H. & Fantus, I. G. (2001). J. Biol. Chem. 276, 35589-35598.
Macrae, C. F., Bruno, I. J., Chisholm, J. A., Edgington, P. R., McCabe, P., Pidcock, E., Rodriguez-Monge, L., Taylor, R., van de Streek, J. & Wood, P. A. (2008). J. Appl. Cryst. 41, 466-470.
Oxford Diffraction (2009). CrysAlis RED and CrysAlis CCD. Oxford Diffraction Ltd, Yarnton, England.
Papoutsakis, D., Ichimura, A. S., Young, V. G., Jackson, J. E. & Nocera, D. G. (2004). Dalton Trans. pp. 224-228.
Preez, J. G. H. du & Sadle, F. G. (1967). Inorg. Chim. Acta, 1, 202-204.
Priebsch, W. & Rehder, D. (1990). Inorg. Chem. 29, 3013-3019.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.
Shi, X., Wang, P., Jiang, H., Mao, Y., Ahmed, N. & Dalal, N. (1996). Ann. Clin. Lab. Sci. 26, 39-49.
Spek, A. L. (2009). Acta Cryst. D65, 148-155.

metal-organic compounds