Poly[[diaqua­bis­(μ3-3,5-dicarb­oxy­benzo­ato-κ3O1:O3:O5)bis­(μ3-5-carb­oxy­ben­zene-1,3-dicarboxyl­ato-κ3O1:O3:O5)tetrakis(methylformamide-κO)tri­man­ganese(II)] dimethyl­formamide tetra­solvate]

Lei, J.-W.; Xie, C.-X.; Yang, H.

doi:10.1107/S1600536812017734

Volume 68
Part 5
Pages m697-m698
May 2012

Received 10 April 2012
Accepted 20 April 2012
Online 28 April 2012

Key indicators
Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.004 Å
R = 0.058
wR = 0.116
Data-to-parameter ratio = 13.8
Details

Poly[[diaquabis(₃-3,5-dicarboxybenzoato-³O¹:O³:O⁵)bis(₃-5-carboxybenzene-1,3-dicarboxylato-³O¹:O³:O⁵)tetrakis(methylformamide-O)trimanganese(II)] dimethylformamide tetrasolvate]

Jing-Wei Lei,^a Cai-Xia Xie ^a and Huai-xia Yang ^a ^*

^aPharmacy College, Henan University of Traditional Chinese Medicine, Zhengzhou 450008, People's Republic of China
Correspondence e-mail: 13623712409@139.com

In the title complex, {[Mn₃(C₉H₄O₆)₂(C₉H₅O₆)₂(C₃H₇NO)₄(H₂O)₂]·4C₃H₇NO}_n, one Mn^II ion sits on an inversion center, and is six-coordinated by four O atoms from four anions (monoanionic and dianionic) derived from benzene-1,3,5-tricarboxylic acid and by two dimethylformamide (DMF) molecules in a slightly distorted octahedral geometry. The other Mn^II ion is six-coordinated by four O atoms from four monoanionic and dianionic ligands, one DMF molecule and one water molecule in a distorted octahedral geometry. The monoanionic and dianionic ligands bridge the Mn^II ions, resulting in the formation of a layered structure parallel to (111) in which all of the carboxylate groups of the anionic ligands coordinate the Mn^II ions in a monodentate manner. Intra- and intermolecular O-HO hydrogen bonds are present in the structure.

Related literature

For background information on complexes based on aromatic polycarboxylate ligands see: Hu et al. (2011); Prajapati et al. (2009).

Experimental

Crystal data

[Mn₃(C₉H₄O₆)₂(C₉H₅O₆)₂(C₃H₇NO)₄(H₂O)₂]·4C₃H₇NO
M_r = 1620.12
Triclinic, $[P \overline 1]$
a = 9.826 (2) Å
b = 13.290 (3) Å
c = 14.698 (3) Å
= 73.22 (3)°
= 83.32 (3)°
= 89.79 (3)°
V = 1824.2 (6) Å³
Z = 1
Mo K radiation
= 0.61 mm^-1
T = 293 K
0.19 × 0.15 × 0.13 mm

Data collection

Rigaku Saturn CCD diffractometer
Absorption correction: multi-scan (CrystalClear; Rigaku/MSC, 2004) T_min = 0.894, T_max = 0.925
18985 measured reflections
6589 independent reflections
5527 reflections with I > 2(I)
R_int = 0.041

Refinement

R[F² > 2(F²)] = 0.058
wR(F²) = 0.116
S = 1.13
6589 reflections
478 parameters
H-atom parameters constrained
_max = 0.33 e Å^-3
_min = -0.33 e Å^-3

Table 1
Hydrogen-bond geometry (Å, °)

D-HA	D-H	HA	DA	D-HA
O8-H8O2	0.82	1.67	2.448 (3)	157
O17-H2WO16	0.85	1.85	2.694 (4)	176
O6-H6O9ⁱ	0.82	1.69	2.452 (3)	153
O3-H3O11ⁱⁱ	0.82	1.69	2.463 (3)	157
O17-H1WO15ⁱⁱⁱ	0.85	1.92	2.713 (4)	155
Symmetry codes: (i) x, y-1, z+1; (ii) x+1, y-1, z; (iii) -x+1, -y+1, -z+1.

Data collection: CrystalClear (Rigaku/MSC, 2004); 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: publCIF (Westrip, 2010).

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: PK2407 ).

Acknowledgements

The study was supported by the Science and Technology Department of Henan Province (082102330003).

References

Hu, J.-S., Huang, L.-F., Yao, X.-Q., Qin, L., Li, Y.-Z., Guo, Z.-J., Zheng, H.-G. & Xue, Z.-L. (2011). Inorg. Chem. 50, 2404-2414.
Prajapati, R., Mishra, L., Kimura, K. & Raghavaiah, P. (2009). Polyhedron, 28, 600-608.
Rigaku/MSC (2004). CrystalClear. Rigaku/MSC Inc., The Woodlands, Texas, USA.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.
Westrip, S. P. (2010). J. Appl. Cryst. 43, 920-925.

metal-organic compounds

Poly[[diaquabis(3-3,5-dicarboxybenzoato-3O1:O3:O5)bis(3-5-carboxybenzene-1,3-dicarboxylato-3O1:O3:O5)tetrakis(methylformamide-O)trimanganese(II)] dimethylformamide tetrasolvate]