Poly[[diaqua­(μ2-1,4-dioxane-κ2O:O′)(μ2-2,3,5,6-tetra­fluoro­benzene-1,4-dicarboxyl­ato-κ2O1:O4)copper(II)] 1,4-dioxane disolvate dihydrate]

Yu, J.; Zhang, Y.-F.; Sun, F.-A.; Chen, Q.

doi:10.1107/S1600536811009755

Volume 67
Part 5
Pages m527-m528
May 2011

Received 27 February 2011
Accepted 15 March 2011
Online 7 April 2011

Key indicators
Single-crystal X-ray study
T = 297 K
Mean (C-C) = 0.007 Å
R = 0.052
wR = 0.182
Data-to-parameter ratio = 14.7
Details

Poly[[diaqua(₂-1,4-dioxane-²O:O')(₂-2,3,5,6-tetrafluorobenzene-1,4-dicarboxylato-²O¹:O⁴)copper(II)] 1,4-dioxane disolvate dihydrate]

Jing Yu,^a Yi-Feng Zhang,^a Fu-An Sun ^a and Qun Chen ^a ^*

^aKey Laboratory of Fine Petrochemical Technology, Jiangsu Polytechnic University, Changzhou 213164, People's Republic of China
Correspondence e-mail: chenqunjpu@yahoo.com

In the title complex, {[Cu(C₈F₄O₄)(C₄H₈O₂)(H₂O)₂]·2C₄H₈O₂·2H₂O}_n, the Cu^II ion is six-coordinated by two oxygen donors from two trans 2,3,5,6-tetrafluoro-1,4-dicarboxylate (BDC-F₄) ligands, two O atoms from two chair 1,4-dioxane ligands and two O atoms from two terminal water molecules, adopting a distorted octahedral coordinated geometry. Each BDC-F₄ anion bridges two Cu^II ions in a bis-monodentate fashion, forming a [Cu(BDC-F₄)]_n chain. These chains are further linked by bridging 1,4-dioxane ligands, generating a two-dimensional net with approximately rectangular grids of 11.253 × 7.654 Å. Such adjacent parallel layers are connected by O-HO hydrogen bonds between guest water molecules and the uncoordinated carboxylate O atoms and coordinated water molecules into the final three-dimensional supramolecular network.

Related literature

For the solvent template effect of 1,4-dioxane in the construction of coordination polymers, see: Chen et al. (2008); He et al. (2009).

Experimental

Crystal data

[Cu(C₈F₄O₄)(C₄H₈O₂)(H₂O)₂]·2C₄H₈O₂·2H₂O
M_r = 636.00
Monoclinic, P 2₁ /c
a = 7.654 (2) Å
b = 11.253 (3) Å
c = 16.126 (4) Å
= 99.634 (6)°
V = 1369.4 (6) Å³
Z = 2
Mo K radiation
= 0.89 mm^-1
T = 297 K
0.20 × 0.15 × 0.12 mm

Data collection

Bruker APEXII CCD diffractometer
Absorption correction: multi-scan (SADABS; Sheldrick, 2003) T_min = 0.842, T_max = 0.901
7646 measured reflections
2536 independent reflections
2011 reflections with I > 2(I)
R_int = 0.030

Refinement

R[F² > 2(F²)] = 0.052
wR(F²) = 0.182
S = 1.07
2536 reflections
173 parameters
H-atom parameters constrained
_max = 0.77 e Å^-3
_min = -0.47 e Å^-3

Table 1
Hydrogen-bond geometry (Å, °)

D-HA	D-H	HA	DA	D-HA
O4-H4BO7	0.82	1.92	2.670 (5)	152
O4-H4AO1ⁱ	0.82	1.85	2.641 (3)	162
O7-H7CO6ⁱⁱ	0.82	2.03	2.807 (7)	158
O7-H7DO1ⁱⁱⁱ	0.82	2.09	2.797 (5)	144
Symmetry codes: (i) -x+1, -y, -z; (ii) x, y-1, z; (iii) $[x, -y+{\script{1\over 2}}, z+{\script{1\over 2}}]$ .

Data collection: APEX2 (Bruker, 2007); cell refinement: APEX2 and SAINT (Bruker, 2007); data reduction: SAINT; program(s) used to solve structure: SHELXTL (Sheldrick, 2008); program(s) used to refine structure: SHELXTL; molecular graphics: SHELXTL and DIAMOND (Brandenburg, 2005); software used to prepare material for publication: SHELXTL.

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: JJ2078 ).

References

Brandenburg, K. (2005). DIAMOND. Crystal Impact GbR, Bonn, Germany.
Bruker (2007). APEX2 and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.
Chen, S.-C., Zhang, Z.-H., Huang, K.-L., Chen, Q., He, M.-Y., Cui, A.-J., Li, C., Liu, Q. & Du, M. (2008). Cryst. Growth Des. 8, 3473-3445.
He, M.-Y., Chen, S.-C., Zhang, Z.-H., Huang, K.-L., Yin, F.-H. & Chen, Q. (2009). Inorg. Chim. Acta, 362, 2569-2576.
Sheldrick, G. M. (2003). SADABS. University of Göttingen, Germany.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.

metal-organic compounds

Poly[[diaqua(2-1,4-dioxane-2O:O')(2-2,3,5,6-tetrafluorobenzene-1,4-dicarboxylato-2O1:O4)copper(II)] 1,4-dioxane disolvate dihydrate]