Tetra­aqua­bis­[3-(pyridin-4-yl)benzoato-κN]manganese(II)

Gao, R.-Q.; Li, G.-T.

doi:10.1107/S1600536812014602

Volume 68
Part 5
Page m562
May 2012

Received 31 March 2012
Accepted 4 April 2012
Online 13 April 2012

Key indicators
Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.003 Å
R = 0.034
wR = 0.079
Data-to-parameter ratio = 11.9
Details

Tetraaquabis[3-(pyridin-4-yl)benzoato-N]manganese(II)

Ru-Qin Gao ^a ^* and Guo-Ting Li ^a

^aDepartment of Environmental and Municipal Engineering, North China University of Water Conservancy and Electric Power, Zhengzhou 450011, People's Republic of China
Correspondence e-mail: gaoruqin@ncwu.edu.cn

In the title compound, [Mn(C₁₂H₈NO₂)₂(H₂O)₄], the Mn²⁺ ion lies on a twofold rotation axis and has a distorted N₂O₄ octahedral coordination geometry formed by four water O atoms in the equatorial plane and two apical pyridyl N atoms. A three-dimensional network is formed in the crystal structure by multiple O-HO hydrogen bonds between the coordinating water molecules and the free carboxylate groups.

Related literature

For pyridyl-multicarboxylate-metal frameworks, see: Huang et al. (2007). For 3-pyridin-4-ylbenzoate compounds, see: Wu et al. (2011) For the isotypic Co complex, see: Wang & Li (2011).

Experimental

Crystal data

[Mn(C₁₂H₈NO₂)₂(H₂O)₄]
M_r = 523.39
Monoclinic, C 2/c
a = 24.935 (3) Å
b = 7.1911 (6) Å
c = 13.9283 (16) Å
= 112.199 (13)°
V = 2312.4 (4) Å³
Z = 4
Mo K radiation
= 0.63 mm^-1
T = 293 K
0.24 × 0.20 × 0.16 mm

Data collection

Siemens SMART CCD diffractometer
Absorption correction: multi-scan (SADABS; Sheldrick, 1996) T_min = 0.875, T_max = 0.913
4456 measured reflections
2035 independent reflections
1673 reflections with I > 2(I)
R_int = 0.028

Refinement

R[F² > 2(F²)] = 0.034
wR(F²) = 0.079
S = 1.05
2035 reflections
171 parameters
H atoms treated by a mixture of independent and constrained refinement
_max = 0.19 e Å^-3
_min = -0.20 e Å^-3

Table 1
Hydrogen-bond geometry (Å, °)

D-HA	D-H	HA	DA	D-HA
O3-H3AO2ⁱ	0.86 (2)	1.91 (2)	2.732 (2)	160 (2)
O3-H3BO1ⁱⁱ	0.80 (2)	1.92 (3)	2.715 (2)	175 (2)
O4-H4AO1ⁱⁱⁱ	0.86 (3)	1.86 (3)	2.728 (2)	176 (2)
O4-H4BO2^iv	0.84 (2)	1.92 (2)	2.726 (2)	161 (2)
Symmetry codes: (i) $[-x+{\script{1\over 2}}, -y+{\script{1\over 2}}, -z+2]$ ; (ii) $[x-{\script{1\over 2}}, y+{\script{1\over 2}}, z]$ ; (iii) $[-x+{\script{1\over 2}}, y-{\script{1\over 2}}, -z+{\script{3\over 2}}]$ ; (iv) $[x-{\script{1\over 2}}, -y+{\script{1\over 2}}, z-{\script{1\over 2}}]$ .

Data collection: SMART (Siemens, 1996); cell refinement: SAINT (Siemens, 1994); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: XP in SHELXTL (Sheldrick, 2008); software used to prepare material for publication: SHELXL97.

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: BT5868 ).

Acknowledgements

This work was supported by the Natural Science Foundation of China.

References

Huang, Y., Wu, B., Yuan, D., Xu, Y., Jiang, F. & Hong, M. (2007). Inorg. Chem. 46, 1171-1176.
Sheldrick, G. M. (1996). SADABS. University of Göttingen, Germany.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.
Siemens (1994). SAINT. Siemens Analytical X-ray Instruments Inc., Madison, Wisconsin, USA.
Siemens (1996). SMART. Siemens Analytical X-ray Instruments Inc., Madison, Wisconsin, USA.
Wang, H.-R. & Li, G.-T. (2011). Acta Cryst. E67, m1743.
Wu, B. L., Wang, R. Y., Zhang, H. Y. & Hou, H. W. (2011). Inorg. Chim. Acta, 375, 2-10.

metal-organic compounds