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Volume 68 
Part 1 
Page m90  
January 2012  

Received 19 November 2011
Accepted 20 December 2011
Online 23 December 2011

Key indicators
Single-crystal X-ray study
T = 173 K
Mean [sigma](C-C) = 0.004 Å
R = 0.027
wR = 0.068
Data-to-parameter ratio = 13.1
Details
Open access

Tetrahedral zinc in tetrakis(1-methyl-1H-imidazole-[kappa]N3)zinc bis(tetrafluoridoborate)

aLeiden Institute of Chemistry, Leiden University, PO Box 9502, 2300 RA Leiden, The Netherlands,bDepartment of Chemistry, College of Science, King Saud University, PO Box 2455 Riyadh 11451, Kingdom of Saudi Arabia, and cUniversity of Helsinki, Department of Chemistry, Laboratory of Inorganic Chemistry, FIN-00014 Helsinki, Finland
Correspondence e-mail: reedijk@chem.leidenuniv.nl

In the title compound, [Zn(C4H6N2)4](BF4)2, the ZnII ion is in a slightly distorted tetrahedral coordination geometry, with Zn-N distances in the range 1.980 (2)-1.991 (2) Å. The tetrahedral angles are in the range 104.93 (9)-118.81 (9)°.

Related literature

For related structures, see: Chen et al. (1996[Chen, X.-M., Huang, X.-C., Xu, Z.-T. & Huang, X.-Y. (1996). Acta Cryst. C52, 2482-2484.]). For the synthesis and properties of the title compound, see: Reedijk (1969[Reedijk, J. (1969). Inorg. Chim. Acta, 3, 517-522.]). The crystal was mounted using the oil-drop method, see: Kottke & Stalke (1993[Kottke, T. & Stalke, D. (1993). J. Appl. Cryst. 26, 615-619.]).

[Scheme 1]

Experimental

Crystal data
  • [Zn(C4H6N2)4](BF4)2

  • Mr = 567.42

  • Orthorhombic, P 21 21 21

  • a = 7.257 (1) Å

  • b = 16.023 (1) Å

  • c = 21.040 (2) Å

  • V = 2446.5 (4) Å3

  • Z = 4

  • Mo K[alpha] radiation

  • [mu] = 1.09 mm-1

  • T = 173 K

  • 0.30 × 0.30 × 0.20 mm

Data collection
  • Nonius KappaCCD diffractometer

  • Absorption correction: multi-scan (SADABS; Sheldrick, 1996)[Sheldrick, G. M. (1996). SADABS. University of Göttingen, Germany.] Tmin = 0.737, Tmax = 0.812

  • 17949 measured reflections

  • 4184 independent reflections

  • 3782 reflections with I > 2[sigma](I)

  • Rint = 0.024

Refinement
  • R[F2 > 2[sigma](F2)] = 0.027

  • wR(F2) = 0.068

  • S = 1.08

  • 4184 reflections

  • 320 parameters

  • H-atom parameters constrained

  • [Delta][rho]max = 0.29 e Å-3

  • [Delta][rho]min = -0.22 e Å-3

  • Absolute structure: Flack (1983[Flack, H. D. (1983). Acta Cryst. A39, 876-881.]), 1690 Friedel pairs

  • Flack parameter: 0.038 (11)

Data collection: COLLECT (Nonius, 2002[Nonius (2002). COLLECT. Nonius BV, Delft, The Netherlands.]); cell refinement: DIRAX (Duisenberg, 1992[Duisenberg, A. J. M. (1992). J. Appl. Cryst. 25, 92-96.]); data reduction: COLLECT/EVAL (Nonius, 2002[Nonius (2002). COLLECT. Nonius BV, Delft, The Netherlands.]); 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: SHELXTL (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); software used to prepare material for publication: SHELXTL.


Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: BV2196 ).


Acknowledgements

The authors are indebted to several generations of BSc, MSc and PhD students who have tried to reproduce the compound and to grow crystals of diffraction quality.

References

Chen, X.-M., Huang, X.-C., Xu, Z.-T. & Huang, X.-Y. (1996). Acta Cryst. C52, 2482-2484.  [CrossRef] [details]
Duisenberg, A. J. M. (1992). J. Appl. Cryst. 25, 92-96.  [CrossRef] [ChemPort] [ISI] [details]
Flack, H. D. (1983). Acta Cryst. A39, 876-881.  [CrossRef] [details]
Kottke, T. & Stalke, D. (1993). J. Appl. Cryst. 26, 615-619.  [CrossRef] [ISI] [details]
Nonius (2002). COLLECT. Nonius BV, Delft, The Netherlands.
Reedijk, J. (1969). Inorg. Chim. Acta, 3, 517-522.  [CrossRef] [ChemPort]
Sheldrick, G. M. (1996). SADABS. University of Göttingen, Germany.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]


Acta Cryst (2012). E68, m90  [ doi:10.1107/S1600536811054821 ]

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