1,4-Diazo­niabicyclo­[2.2.2]octane hexa­aqua­magnesium bis­(sulfate)

Zheng, W.-N.

doi:10.1107/S1600536811005368

Volume 67
Part 3
Page m344
March 2011

Received 29 January 2011
Accepted 14 February 2011
Online 19 February 2011

Key indicators
Single-crystal X-ray study
T = 298 K
Mean (C-C) = 0.006 Å
R = 0.065
wR = 0.169
Data-to-parameter ratio = 17.4
Details

1,4-Diazoniabicyclo[2.2.2]octane hexaaquamagnesium bis(sulfate)

Wen-Ni Zheng ^a ^*

^aOrdered Matter Science Research Center, College of Chemistry and Chemical Engineering, Southeast University, Nanjing 210096, People's Republic of China
Correspondence e-mail: fudavid88@yahoo.com.cn

In the title compound, (C₆H₁₄N₂)[Mg(H₂O)₆](SO₄)₂, the Mg^II ion, lying on an inversion center, is coordinated by six water molecules in a slightly distorted octahedral geometry. The 1,4-diazoniabicyclo[2.2.2]octane cation is located about a twofold rotation axis. Intermolecular N-HO and O-HO hydrogen bonds link the cations and the anions into a three-dimensional network.

Related literature

For the properties and applications of amide salt compounds, see: Fu et al. (2007, 2008, 2009); Fu & Xiong (2008).

Experimental

Crystal data

(C₆H₁₄N₂)[Mg(H₂O)₆](SO₄)₂
M_r = 438.74
Monoclinic, C 2/c
a = 14.968 (3) Å
b = 9.1860 (18) Å
c = 14.334 (3) Å
= 117.12 (3)°
V = 1754.2 (8) Å³
Z = 4
Mo K radiation
= 0.41 mm^-1
T = 298 K
0.40 × 0.30 × 0.20 mm

Data collection

Rigaku SCXmini CCD diffractometer
Absorption correction: multi-scan (CrystalClear; Rigaku, 2005) T_min = 0.89, T_max = 0.95
8747 measured reflections
2014 independent reflections
1839 reflections with I > 2(I)
R_int = 0.022

Refinement

R[F² > 2(F²)] = 0.065
wR(F²) = 0.169
S = 1.26
2014 reflections
116 parameters
H-atom parameters constrained
_max = 1.30 e Å^-3
_min = -1.08 e Å^-3

Table 1
Hydrogen-bond geometry (Å, °)

D-HA	D-H	HA	DA	D-HA
N1-H1O3ⁱ	0.91	1.87	2.734 (3)	157
O1W-H1WAO3ⁱ	0.85	1.90	2.751 (3)	179
O1W-H1WBO1ⁱⁱ	0.85	2.01	2.835 (3)	165
O2W-H2WAO2	0.85	2.00	2.809 (3)	158
O2W-H2WBO2ⁱⁱⁱ	0.85	1.83	2.674 (3)	173
O3W-H3WAO4^iv	0.85	1.85	2.694 (3)	170
O3W-H3WBO1ⁱⁱⁱ	0.85	1.92	2.769 (3)	177
Symmetry codes: (i) $[-x+{\script{1\over 2}}, -y+{\script{1\over 2}}, -z]$ ; (ii) $[x-{\script{1\over 2}}, y+{\script{1\over 2}}, z]$ ; (iii) $[-x+1, y, -z+{\script{1\over 2}}]$ ; (iv) $[x-{\script{1\over 2}}, y-{\script{1\over 2}}, z]$ .

Data collection: CrystalClear (Rigaku, 2005); cell refinement: CrystalClear; data reduction: CrystalClear; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: SHELXTL (Sheldrick, 2008) and DIAMOND (Brandenburg, 1999); software used to prepare material for publication: SHELXTL.

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: HY2403 ).

Acknowledgements

This work was supported by a start-up grant from Southeast University, China.

References

Brandenburg, K. (1999). DIAMOND. Crystal Impact GbR, Bonn, Germany.
Fu, D.-W., Ge, J.-Z., Dai, J., Ye, H.-Y. & Qu, Z.-R. (2009). Inorg. Chem. Commun. 12, 994-997.
Fu, D.-W., Song, Y.-M., Wang, G.-X., Ye, Q., Xiong, R.-G., Akutagawa, T., Nakamura, T., Chan, P. W. H. & Huang, S. D. (2007). J. Am. Chem. Soc. 129, 5346-5347.
Fu, D.-W. & Xiong, R.-G. (2008). Dalton Trans. pp. 3946-3948.
Fu, D.-W., Zhang, W. & Xiong, R.-G. (2008). Cryst. Growth Des. 8, 3461-3464.
Rigaku (2005). CrystalClear. Rigaku Corporation, Tokyo, Japan.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.

metal-organic compounds