catena-Poly[(trans-diaqua­cadmium)-bis­{μ-5-[4-(1H-imidazol-1-yl)phen­yl]tetra­zol-1-ido}]

Tong, S.-W.; Li, S.-J.; Song, W.-D.; Miao, D.-L.; An, J.-B.

doi:10.1107/S1600536812014626

Volume 68
Part 5
Pages m585-m586
May 2012

Received 17 March 2012
Accepted 4 April 2012
Online 13 April 2012

Key indicators
Single-crystal X-ray study
T = 298 K
Mean (C-C) = 0.005 Å
R = 0.027
wR = 0.065
Data-to-parameter ratio = 11.1
Details

catena-Poly[(trans-diaquacadmium)-bis{-5-[4-(1H-imidazol-1-yl)phenyl]tetrazol-1-ido}]

Shao-Wei Tong,^a Shi-Jie Li,^b Wen-Dong Song,^c ^* Dong-Liang Miao ^a and Jing-Bo An ^a

^aCollege of Food Science and Technology, Guangdong Ocean University, Zhanjiang 524088, People's Republic of China,^bSchool of Enviroment Science and Engineering, Donghua University, Shanghai 200051, People's Republic of China, and ^cCollege of Science, Guangdong Ocean University, Zhanjiang 524088, People's Republic of China
Correspondence e-mail: songwd60@163.com

In the title compound, [Cd(C₁₀H₇N₆)₂(H₂O)₂], the Cd^II atom lies on an inversion centre and is coordinated by four N atoms from 5-[4-(1H-imidazol-1-yl)phenyl]tetrazol-1-ide ligands and two O atoms from the coordinated water molecules in an octahedral arrangement. The complex polymeric chains are interconnected via intermolecular water O-HN hydrogen bonds into a three-dimensional network.

Related literature

For our previous work based on imidazole derivatives as ligands, see: Tong, Li et al. (2011); Li et al. (2010). For related structures, see: Huang et al. (2009); Cheng (2011).

Experimental

Crystal data

[Cd(C₁₀H₇N₆)₂(H₂O)₂]
M_r = 570.86
Triclinic, $[P \overline 1]$
a = 7.6070 (6) Å
b = 8.0621 (8) Å
c = 9.1509 (9) Å
= 102.762 (1)°
= 97.495 (1)°
= 106.073 (2)°
V = 514.84 (8) Å³
Z = 1
Mo K radiation
= 1.11 mm^-1
T = 298 K
0.22 × 0.21 × 0.15 mm

Data collection

Bruker SMART 1000 CCD area-detector diffractometer
Absorption correction: multi-scan (SADABS; Bruker, 2007) T_min = 0.792, T_max = 0.851
2591 measured reflections
1768 independent reflections
1708 reflections with I > 2(I)
R_int = 0.015

Refinement

R[F² > 2(F²)] = 0.027
wR(F²) = 0.065
S = 1.14
1768 reflections
160 parameters
3 restraints
H-atom parameters constrained
_max = 0.48 e Å^-3
_min = -0.62 e Å^-3

Table 1
Selected bond lengths (Å)

Cd1-N6	2.264 (2)
Cd1-N1	2.385 (2)
Cd1-O1W	2.461 (2)

Table 2
Hydrogen-bond geometry (Å, °)

D-HA	D-H	HA	DA	D-HA
O1W-H1WN4ⁱ	0.85	2.06	2.903 (3)	171
O1W-H2WN3ⁱⁱ	0.85	2.11	2.953 (3)	171
Symmetry codes: (i) x+1, y, z; (ii) -x+1, -y+2, -z+1.

Data collection: SMART (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: KP2399 ).

Acknowledgements

We acknowledge the Public Science and Technology Research Funds Projects of Ocean (grant No. 2000905021), the Guangdong Oceanic Fisheries Technology Promotion Project [grant No. A2009003-018(c)], the Guangdong Chinese Academy of Science Comprehensive Strategic Cooperation Project (grant No. 2009B091300121) and the Guangdong Province Key Project in the Field of Social Development [grant No. A2009011-007(c)].

References

Bruker (2007). SMART, SAINT and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.
Cheng, X.-C. (2011). Acta Cryst. E67, m1757.
Huang, R. Y., Zhu, K., Chen, H., Liu, G. X. & Ren, X. M. (2009). Wuji Huaxue Xuebao, 25, 162-165.
Li, S.-J., Miao, D.-L., Song, W.-D., Li, S.-H. & Yan, J.-B. (2010). Acta Cryst. E66, m1096-m1097.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.
Tong, S.-W., Li, S.-J., Song, W.-D., Miao, D.-L. & An, J.-B. (2011). Acta Cryst. E67, m1870-m1871.

metal-organic compounds