Tetra­hedral zinc in tetra­kis­(1-methyl-1H-imidazole-κN3)zinc bis­(tetra­fluorido­borate)

Reedijk, J.; Albada, G.A. van; Limburg, B.; Mutikainen, I.; Turpeinen, U.

doi:10.1107/S1600536811054821

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 (C-C) = 0.004 Å
R = 0.027
wR = 0.068
Data-to-parameter ratio = 13.1
Details

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

Jan Reedijk,^a,^b ^* Gerard A. van Albada,^a Bart Limburg,^a Ilpo Mutikainen ^c and Urho Turpeinen ^c

^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 Zn^II 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). For the synthesis and properties of the title compound, see: Reedijk (1969). The crystal was mounted using the oil-drop method, see: Kottke & Stalke (1993).

Experimental

Crystal data

[Zn(C₄H₆N₂)₄](BF₄)₂
M_r = 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 radiation
= 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) T_min = 0.737, T_max = 0.812
17949 measured reflections
4184 independent reflections
3782 reflections with I > 2(I)
R_int = 0.024

Refinement

R[F² > 2(F²)] = 0.027
wR(F²) = 0.068
S = 1.08
4184 reflections
320 parameters
H-atom parameters constrained
_max = 0.29 e Å^-3
_min = -0.22 e Å^-3
Absolute structure: Flack (1983), 1690 Friedel pairs
Flack parameter: 0.038 (11)

Data collection: COLLECT (Nonius, 2002); cell refinement: DIRAX (Duisenberg, 1992); data reduction: COLLECT/EVAL (Nonius, 2002); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: SHELXTL (Sheldrick, 2008); 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.
Duisenberg, A. J. M. (1992). J. Appl. Cryst. 25, 92-96.
Flack, H. D. (1983). Acta Cryst. A39, 876-881.
Kottke, T. & Stalke, D. (1993). J. Appl. Cryst. 26, 615-619.
Nonius (2002). COLLECT. Nonius BV, Delft, The Netherlands.
Reedijk, J. (1969). Inorg. Chim. Acta, 3, 517-522.
Sheldrick, G. M. (1996). SADABS. University of Göttingen, Germany.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.

metal-organic compounds

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