catena-Poly[[[diaqua­copper(II)]-bis­[μ-1,5-bis­(1H-imidazol-1-yl)pentane-κ2N3:N3′]] naphthalene-1,5-disulfonate]

Zhang, L.-P.; Wen, S.-T.; Fu, X.-N.

doi:10.1107/S1600536812045679

Volume 68
Part 12
Page m1505
December 2012

Received 21 October 2012
Accepted 5 November 2012
Online 17 November 2012

Key indicators
Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.008 Å
Disorder in main residue
R = 0.074
wR = 0.167
Data-to-parameter ratio = 15.5
Details

catena-Poly[[[diaquacopper(II)]-bis[-1,5-bis(1H-imidazol-1-yl)pentane-²N³:N^3']] naphthalene-1,5-disulfonate]

Lai-Ping Zhang,^a ^* Shu-Tang Wen ^a and Xiao-Ning Fu ^a

^aDepartment of Chemistry and Chemical Engineering, Xinxiang University, Xinxiang 453000, People's Republic of China
Correspondence e-mail: zhanglaiping2010@yahoo.com.cn

In the title complex, {[Cu(C₁₁H₁₆N₄)₂(H₂O)₂](C₁₀H₆O₆S₂)}_n, the Cu^II atom, lying on an inversion center, is six-coordinated by two water molecules and four N atoms from four 1,5-bis(1H-imidazol-1-yl)pentane (biim-5) ligands in a distorted octahedral geometry. Adjacent Cu^II atoms are linked by two biim-5 ligands, forming a chain along [111]. Two atoms of the pentane group are disordered over two sets of sites, with an occupancy ratio of 0.554 (18):0.446 (18). Intermolecular O-HO hydrogen bonds link the chains and the centrosymmetric naphthalene-1,5-disulfonate anions into a layer structure parallel to (0-11).

Related literature

For background to metal-organic coordination polymers with N-donor ligands, see: Kesanli et al. (2005); Wei et al. (2008); Zhang et al. (2010).

Experimental

Crystal data

[Cu(C₁₁H₁₆N₄)₂(H₂O)₂](C₁₀H₆O₆S₂)
M_r = 790.37
Triclinic, $[P \overline 1]$
a = 9.300 (5) Å
b = 9.880 (5) Å
c = 11.020 (5) Å
= 95.490 (5)°
= 102.930 (5)°
= 114.000 (5)°
V = 881.5 (8) Å³
Z = 1
Mo K radiation
= 0.80 mm^-1
T = 293 K
0.41 × 0.33 × 0.21 mm

Data collection

Rigaku R-AXIS RAPID diffractometer
Absorption correction: multi-scan (ABSCOR; Higashi, 1995) T_min = 0.970, T_max = 0.980
8706 measured reflections
3995 independent reflections
2218 reflections with I > 2(I)
R_int = 0.076

Refinement

R[F² > 2(F²)] = 0.074
wR(F²) = 0.167
S = 1.03
3995 reflections
258 parameters
4 restraints
H atoms treated by a mixture of independent and constrained refinement
_max = 0.52 e Å^-3
_min = -0.62 e Å^-3

Table 1
Hydrogen-bond geometry (Å, °)

D-HA	D-H	HA	DA	D-HA
O1W-H1AO2	0.89 (6)	1.97 (6)	2.836 (6)	163 (6)
O1W-H1BO1ⁱ	0.89 (4)	2.11 (4)	3.001 (6)	178 (7)
Symmetry code: (i) -x, -y+1, -z+1.

Data collection: RAPID-AUTO (Rigaku, 1998); cell refinement: RAPID-AUTO; data reduction: CrystalStructure (Rigaku/MSC, 2002); 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: SHELXTL.

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: HY2599 ).

Acknowledgements

We thank the Science and Technology Key Projects for Technological Research on Preparation and Application of TiO₂, Henan Province (grant No. 0624270006), for support.

References

Higashi, T. (1995). ABSCOR. Rigaku Corporation, Tokyo, Japan.
Kesanli, B., Cui, Y., Smith, M. R., Bittner, E. W., Bockrath, B. C. & Lin, W. B. (2005). Angew. Chem. Int. Ed. 44, 72-75.
Rigaku (1998). RAPID-AUTO. Rigaku Corporation, Tokyo, Japan.
Rigaku/MSC (2002). CrystalStructure. Rigaku/MSC Inc., The Woodlands, Texas, USA.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.
Wei, G.-H., Yang, J., Ma, J.-F., Liu, Y.-Y. & Li, S.-L. (2008). Acta Cryst. C64, m267-m270.
Zhang, L.-P., Ma, J.-F., Pang, Y.-Y., Ma, J.-C. & Yang, J. (2010). CrystEngComm, 12, 4433-4442.

metal-organic compounds

catena-Poly[[[diaquacopper(II)]-bis[-1,5-bis(1H-imidazol-1-yl)pentane-2N3:N3']] naphthalene-1,5-disulfonate]