A two-dimensional manganese(II) complex: poly[bis­(μ2-4,4′-bipyrid­yl)tetra­kis­(μ2-3,5-dinitro­benzoato)dimanganese(II)]

Wang, J.; Li, Z.-L.; Xu, X.-Z.; Yan, W.-J.

doi:10.1107/S1600536810034495

Volume 66
Part 10
Page m1187
October 2010

Received 16 August 2010
Accepted 26 August 2010
Online 4 September 2010

Key indicators
Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.003 Å
R = 0.032
wR = 0.085
Data-to-parameter ratio = 11.0
Details

A two-dimensional manganese(II) complex: poly[bis(₂-4,4'-bipyridyl)tetrakis(₂-3,5-dinitrobenzoato)dimanganese(II)]

Jian Wang,^a Zhu-Lai Li,^a ^* Xiu-Zhi Xu ^a and Wen-Jin Yan ^a

^aDepartment of Medicinal Chemistry, School of Pharmacy, Fujian Medical University, Fuzhou, Fujian 350004, People's Republic of China
Correspondence e-mail: lizhulai@126.com

The Mn atom in the title compound, [Mn₂(C₇H₃N₂O₆)₄(C₁₀H₈N₂)₂]_n, is six-coordinated by two N atoms and four O atoms, forming a distorted octahedral geometry. The Mn-O bond lengths are in the range 2.1281 (13)-2.2011 (12) Å and the Mn-N bond lengths are 2.269 (2) and 2.278 (2) Å. Mn(II) atoms are double-bridged along the a axis by two pairs of bi-monodentate carboxyl groups, forming a double-stranded chain, while the bidentate 4,4'-bipyridine ligand bridges the Mn atom along the b axis. This results in a two-dimensional structure constructed of oblong grids with the sides of length 11.634 and 5.075 Å

Related literature

In order to study the relationship between the manganese ion and the biological coordination agent, the role of the manganese ion in the active sites and the structure of the active sites in the manganese enzymes, small molecule complexes are often applied to modeling the structure and the properties of reaction in the active centers, see: Shi et al. (2000). The characterization of metal complexes containing monocarboxylic acids has demonstrated the versatility of the carboxylate group as an innersphere ligand, see: Mehrotra & Bohra (1983).

Experimental

Crystal data

[Mn₂(C₇H₃N₂O₆)₄(C₁₀H₈N₂)₂]
M_r = 633.35
Monoclinic, P 2/n
a = 10.0873 (6) Å
b = 11.6336 (6) Å
c = 21.2191 (12) Å
= 98.075 (3)°
V = 2465.41 (14) Å³
Z = 4
Mo K radiation
= 0.62 mm^-1
T = 293 K
0.82 × 0.45 × 0.35 mm

Data collection

Rigaku Mercury diffractometer
Absorption correction: multi-scan (CrystalStructure; Rigaku, 2000) T_min = 0.779, T_max = 1.000
14626 measured reflections
4334 independent reflections
4149 reflections with I > 2(I)
R_int = 0.018

Refinement

R[F² > 2(F²)] = 0.032
wR(F²) = 0.085
S = 1.01
4334 reflections
393 parameters
H-atom parameters constrained
_max = 0.31 e Å^-3
_min = -0.37 e Å^-3

Data collection: CrystalClear Rigaku (2000); 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); software used to prepare material for publication: SHELXL97.

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: BR2146 ).

Acknowledgements

The authors would like to thank Fujian Provincial Science and Technology Innovation Foundation under Grant No 2007F3038 for financial support.

References

Mehrotra, R. C. & Bohra, R. (1983). Metal Carboxylates. London: Academic Press.
Rigaku (2000). CrystalClear and CrystalStructure. Rigaku Corporation, Tokyo, Japan.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.
Shi, Z., Zhang, L. R., Gao, S., Yang, G., Hua, J., Gao, L. & Feng, S. (2000). Inorg. Chem. 39, 1990-1993.

metal-organic compounds

A two-dimensional manganese(II) complex: poly[bis(2-4,4'-bipyridyl)tetrakis(2-3,5-dinitrobenzoato)dimanganese(II)]