catena-Poly[[tetra­aqua­(μ-4,4′-bipyridine-κ2N:N′)zinc(II)] fumarate tetra­hydrate]

Tian, Y.; Wu, Y.-P.; Li, D.-S.; Wang, H.; Wang, J.-W.

doi:10.1107/S1600536808009227

Volume 64
Part 5
Pages m662-m663
May 2008

Received 27 February 2008
Accepted 4 April 2008
Online 16 April 2008

Key indicators
Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.004 Å
R = 0.041
wR = 0.113
Data-to-parameter ratio = 14.2
Details

catena-Poly[[tetraaqua(-4,4'-bipyridine-²N:N')zinc(II)] fumarate tetrahydrate]

Yong Tian,^a Ya-Pan Wu,^b Dong-Sheng Li,^a,^b ^* Hui Wang ^a and Ji-Wu Wang ^b

^aDepartment of Chemistry, Shaanxi Key Laboratory of Physico-Inorganic Chemistry, Northwest University, Xi'an 710069, People's Republic of China, and ^bDepartment of Chemistry and Chemical Engineering, Shaanxi Key Laboratory of Chemical Reaction Engineering, Yan'an University, Yan'an 716000, People's Republic of China
Correspondence e-mail: lidongsheng1@126.com

In the title compound, {[Zn(C₁₀H₈N₂)(H₂O)₄](C₄H₂O₄)·4H₂O}_n, the Zn^II atom is coordinated by two N atoms from two [mu] -4,4'-bipyridine ligands and four water molecules in a distorted octahedral geometry. The coordination unit is extended through the Zn-N bond, leading to a one-dimensional cationic chain. A twofold rotation axis passes through the Zn atom and along the axis of the 4,4'-bipyridine ligand. Each uncoordinated water molecule acts as both hydrogen-bond donor and acceptor. A three-dimensional network is constructed through hydrogen bonds involving water molecules and fumarate dianions.

Related literature

For related literature, see: Lu et al. (2006); Moulton & Zaworotko (2001); Nordell et al. (2003); Wagner et al. (2002); Wen et al. (2005); Yaghi et al. (1997); Zaworotko (2001); Zhou et al. (2007).

Experimental

Crystal data

[Zn(C₁₀H₈N₂)(H₂O)₄](C₄H₂O₄)·4H₂O
M_r = 479.74
Monoclinic, C 2/c
a = 17.094 (5) Å
b = 11.394 (3) Å
c = 13.082 (6) Å
= 126.652 (2)°
V = 2044.3 (12) Å³
Z = 4
Mo K radiation
= 1.26 mm^-1
T = 293 (2) K
0.39 × 0.28 × 0.26 mm

Data collection

Bruker SMART APEXII CCD area-detector diffractometer
Absorption correction: multi-scan (SADABS; Sheldrick, 1996) T_min = 0.626, T_max = 0.712
7538 measured reflections
1907 independent reflections
1724 reflections with I > 2(I)
R_int = 0.051

Refinement

R[F² > 2(F²)] = 0.040
wR(F²) = 0.112
S = 1.09
1907 reflections
134 parameters
H-atom parameters constrained
_max = 0.98 e Å^-3
_min = -0.86 e Å^-3

Table 1
Selected geometric parameters (Å, °)

Zn1-O2	2.0697 (18)
Zn1-N2ⁱ	2.133 (3)
Zn1-N1	2.146 (3)
Zn1-O1	2.186 (2)

O2ⁱⁱ-Zn1-O2	179.01 (9)
O2-Zn1-N2ⁱ	89.50 (4)
O2-Zn1-N1	90.50 (4)
O2-Zn1-O1ⁱⁱ	91.97 (7)
O2-Zn1-O1	88.01 (7)
N2ⁱ-Zn1-O1	89.21 (4)
N1-Zn1-O1	90.79 (4)
O1ⁱⁱ-Zn1-O1	178.43 (8)
Symmetry codes: (i) x, y-1, z; (ii) $[-x+1, y, -z+{\script{3\over 2}}]$ .

Table 2
Hydrogen-bond geometry (Å, °)

D-HA	D-H	HA	DA	D-HA
O1-H1WO3ⁱⁱⁱ	0.83	1.93	2.757 (2)	173
O1-H2WO4^iv	0.83	2.01	2.835 (3)	172
O2-H3WO3	0.83	1.91	2.732 (2)	172
O2-H4WO6^v	0.82	1.83	2.623 (3)	162
O3-H5WO5	0.83	1.88	2.707 (3)	173
O3-H6WO4^iv	0.82	2.10	2.911 (3)	172
O4-H7WO6^v	0.83	2.00	2.832 (3)	175
O4-H8WO5	0.83	1.99	2.811 (3)	169
Symmetry codes: (iii) $[-x+{\script{1\over 2}}, -y+{\script{1\over 2}}, -z+1]$ ; (iv) $[x, -y+1, z-{\script{1\over 2}}]$ ; (v) $[-x+{\script{1\over 2}}, y-{\script{1\over 2}}, -z+{\script{3\over 2}}]$ .

Data collection: APEX2 (Bruker, 2007); cell refinement: SAINT (Bruker, 2007); data reduction: SAINT; 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: SHELXTL.

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: HY2122 ).

Acknowledgements

This work was supported by the Natural Science Research Foundation of Shaanxi Provincial Education Office of China (grant No. 06JK155), the Natural Science Foundation of Shaanxi Province of China (grant No. 2006B08) and the Sustentatio Program for New-Century Elitists of the Ministry of Education, China (NCET-06-0891).

References

Bruker (2007). APEX2 and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.
Lu, W.-J., Zhu, Y.-M. & Zhong, K.-L. (2006). Acta Cryst. E62, m3036-m3038.
Moulton, B. & Zaworotko, M. J. (2001). Chem. Rev. 101, 1629-1658.
Nordell, K. J., Higgins, K. A. & Smith, M. D. (2003). Acta Cryst. E59, m114-m115.
Sheldrick, G. M. (1996). SADABS. University of Göttingen, Germany.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.
Wagner, B. D., McManus, G. J., Moulton, B. & Zaworotko, M. J. (2002). Chem. Commun. pp. 2176-2177.
Wen, L.-L., Dang, D.-B., Duan, C.-Y., Li, Y.-Z., Tian, Z.-F. & Meng, Q.-J. (2005). Inorg. Chem. 44, 7161-7170.
Yaghi, O. M., Li, H.-L. & Groy, T. L. (1997). Inorg. Chem. 36, 4292-4293.
Zaworotko, M. J. (2001). Chem. Commun. pp. 1-9.
Zhou, Y., Yao, J.-N., Liu, W.-S. & Yu, K.-B. (2007). Anal. Sci. 23, x245-x246.

metal-organic compounds

catena-Poly[[tetraaqua(-4,4'-bipyridine-2N:N')zinc(II)] fumarate tetrahydrate]