(IUCr) 2,2'-Biimidazolium hexaaquamanganese(II) bis(sulfate)

Volume 64
Part 8
Page m1005
August 2008

Received 25 June 2008
Accepted 2 July 2008
Online 9 July 2008

Key indicators
Single-crystal X-ray study
T = 100 K
Mean (C-C) = 0.002 Å
R = 0.023
wR = 0.066
Data-to-parameter ratio = 13.8
Details

2,2'-Biimidazolium hexaaquamanganese(II) bis(sulfate)

Mukhtar A. Kurawa,^a Christopher J. Adams ^a and A. Guy Orpen ^a ^*

^aSchool of Chemistry, University of Bristol, Bristol BS8 1TS, England
Correspondence e-mail: guy.orpen@bris.ac.uk

The title compound, (C₆H₈N₄)[Mn(H₂O)₆](SO₄)₂, was obtained by cocrystallization of 2,2'-biimidazolium sulfate and bis(tetrabutylammonium) tetrachloridomanganate(II). The asymmetric unit contains one isolated (SO₄)^2- anion, one half of an octahedral [Mn(H₂O)₆]²⁺ dication and one half of a 2,2'-biimidazolium dication, each of which lies on an inversion centre. Molecules are connected by a three-dimensional N-HO and O-HO hydrogen-bond network.

Related literature

For the syntheses, structural studies and thermal behaviour of related compounds, see: Rekik et al. (2006, 2007).

Experimental

Crystal data

(C₆H₈N₄)[Mn(H₂O)₆](SO₄)₂
M_r = 491.34
Monoclinic, P 2₁ /c
a = 6.0625 (7) Å
b = 11.606 (2) Å
c = 12.218 (2) Å
= 91.65 (1)°
V = 859.3 (2) Å³
Z = 2
Mo K radiation
= 1.09 mm^-1
T = 100 (2) K
0.4 × 0.3 × 0.2 mm

Data collection

Bruker SMART APEX CCD area-detector diffractometer
Absorption correction: multi-scan (SADABS; Sheldrick,1996) T_min = 0.686, T_max = 0.800
9389 measured reflections
1954 independent reflections
1897 reflections with I > 2(I)
R_int = 0.018

Refinement

R[F² > 2(F²)] = 0.023
wR(F²) = 0.066
S = 1.06
1954 reflections
142 parameters
6 restraints
H atoms treated by a mixture of independent and constrained refinement
_max = 0.28 e Å^-3
_min = -0.65 e Å^-3

Table 1
Selected bond lengths (Å)

Mn1-O6	2.1335 (10)
Mn1-O7	2.1856 (10)
Mn1-O5	2.2218 (10)
Symmetry code: (i) -x, -y+2, -z.

Table 2
Hydrogen-bond geometry (Å, °)

D-HA	D-H	HA	DA	D-HA
N1-H1AO3ⁱⁱ	0.88	1.93	2.7699 (15)	159
N1-H1AO2ⁱⁱ	0.88	2.45	3.0994 (15)	131
N2-H2AO3ⁱⁱⁱ	0.88	1.92	2.7562 (16)	159
O5-H5AO2	0.843 (14)	1.917 (15)	2.7600 (15)	176.8 (18)
O5-H5BO3^iv	0.813 (14)	2.088 (15)	2.8638 (15)	159.7 (17)
O6-H6AO4^v	0.839 (14)	1.908 (15)	2.7402 (15)	171.2 (18)
O6-H6BO1^vi	0.846 (14)	1.847 (15)	2.6904 (14)	174.2 (18)
O7-H7AO4^vii	0.851 (14)	1.888 (15)	2.7298 (15)	169.5 (18)
O7-H7BO2^v	0.846 (14)	1.892 (14)	2.7266 (14)	169.0 (17)
Symmetry codes: (ii) $[-x+1, y+{\script{1\over 2}}, -z+{\script{1\over 2}}]$ ; (iii) $[x-1, -y+{\script{3\over 2}}, z-{\script{1\over 2}}]$ ; (iv) x-1, y, z; (v) $[-x+1, y-{\script{1\over 2}}, -z+{\script{1\over 2}}]$ ; (vi) -x+1, -y+1, -z; (vii) $[-x+2, y-{\script{1\over 2}}, -z+{\script{1\over 2}}]$ .

Data collection: SMART (Bruker, 2007); cell refinement: SAINT (Bruker, 2007); data reduction: SAINT; 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: HY2142 ).

Acknowledgements

MAK thanks Bayero University, Kano, Nigeria, for funding.

References

Bruker (2007). SMART and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.
Rekik, W., Naili, H., Bataille, T., Roisnel, T. & Mhiri, T. (2006). Inorg. Chim. Acta, 359, 3954-3962.
Rekik, W., Naili, H., Mhiri, T. & Bataille, T. (2007). J. Chem. Crystallogr. 37, 149-155.
Sheldrick, G. M. (1996). SADABS. University of Göttingen, Germany.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.

metal-organic compounds