catena-Poly[[bis­(4-methyl­benzene­thiol­ato)cadium(II)]-μ-1,3-di-4-pyridylpropane]

Zhang, Y.; Zhou, Y.; Han, L.

doi:10.1107/S1600536809010447

Volume 65
Part 4
Page m447
April 2009

Received 18 March 2009
Accepted 21 March 2009
Online 28 March 2009

Key indicators
Single-crystal X-ray study
T = 298 K
Mean (C-C) = 0.004 Å
R = 0.036
wR = 0.090
Data-to-parameter ratio = 19.7
Details

catena-Poly[[bis(4-methylbenzenethiolato)cadium(II)]--1,3-di-4-pyridylpropane]

Yan Zhang,^a Yan Zhou ^a and Lei Han ^a ^*

^aFaculty of Materials Science & Chemical Engineering, Ningbo University, Ningbo, Zhejiang 315211, People's Republic of China
Correspondence e-mail: hanlei@nbu.edu.cn

In the title compound, [Cd(C₇H₇S)₂(C₁₃H₁₄N₂)]_n, the unique Cd^II ion, located on a twofold rotation axis, is coordinated by two S atoms and two N atoms in a slightly distorted tetrahedral environment. Symmetry-related Cd^II ions are linked via bridging 1,3-di-4-pyridylpropane ligands, forming a zig-zag chain-structure parallel to [001]. In the crystal structure, there are weak intrachain [pi] - [pi] stacking interactions between benzene rings, with a centroid-centroid distance of 3.825 (7) Å, and pairs of chains are interdigitated with respect to the 4-methylbenzenethiolate groups.

Related literature

For background information on coordination polymers, see: James (2003); Wang et al. (2005); Cheng et al. (2007); Han & Zhou (2008). For information on the 1,3-bis(4-pyridyl)propane ligand, see: Han et al. (2007); Carlucci et al. (2002). For the synthetic procedure, see: Dance et al. (1987).

Experimental

Crystal data

[Cd(C₇H₇S)₂(C₁₃H₁₄N₂)]
M_r = 557.03
Monoclinic, C 2/c
a = 11.922 (2) Å
b = 16.792 (3) Å
c = 12.862 (3) Å
= 91.06 (3)°
V = 2574.5 (9) Å³
Z = 4
Mo K radiation
= 1.03 mm^-1
T = 298 K
0.45 × 0.25 × 0.18 mm

Data collection

Rigaku R-AXIS RAPID diffractometer
Absorption correction: multi-scan (ABSCOR; Higashi, 1995) T_min = 0.655, T_max = 0.837
12609 measured reflections
2948 independent reflections
2587 reflections with I > 2(I)
R_int = 0.046

Refinement

R[F² > 2(F²)] = 0.036
wR(F²) = 0.090
S = 1.09
2948 reflections
150 parameters
H atoms treated by a mixture of independent and constrained refinement
_max = 0.53 e Å^-3
_min = -0.90 e Å^-3

Table 1
Selected geometric parameters (Å, °)

Cd1-N1	2.320 (2)
Cd1-S1	2.4370 (9)

N1-Cd1-N1ⁱ	93.43 (11)
N1-Cd1-S1	103.83 (7)
N1ⁱ-Cd1-S1	108.77 (7)
S1-Cd1-S1ⁱ	131.71 (4)
Symmetry code: (i) $[-x, y, -z+{\script{1\over 2}}]$ .

Data collection: RAPID-AUTO (Rigaku, 1998); cell refinement: RAPID-AUTO; data reduction: CrystalStructure (Rigaku/MSC, 2004); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: SHELXTL (Sheldrick, 2008) and PLATON (Spek, 2009); software used to prepare material for publication: SHELXL97.

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: LH2791 ).

Acknowledgements

This work was supported by the Natural Science Foundation of Zhejiang Province (Y4080435), the Natural Science Foundation of Ningbo Municipal (2007A610024) and the K.C. Wong Magna Fund of Ningbo University.

References

Carlucci, L., Ciani, G., Proserpio, D.-M. & Rizzato, S. (2002). Coord. Chem. Rev. 4, 121-129.
Cheng, A.-L., Liu, N., Yue, Y.-F., Jiang, Y.-W., Gao, E.-Q., Yan, C.-H. & He, M.-Y. (2007). Chem. Commun. pp. 407-409.
Dance, I. G., Garbutt, R. G., Craig, D. C. & Scudder, M. L. (1987). Inorg. Chem. 26, 4057-4064.
Han, L., Valle, H. & Bu, X.-H. (2007). Inorg. Chem. 46, 1511-1513.
Han, L. & Zhou, Y. (2008). Inorg. Chem. Commun. 11, 385-387.
Higashi, T. (1995). ABSCOR. Rigaku Corporation, Tokyo, Japan.
James, S. L. (2003). Chem. Soc. Rev. 32, 276-288.
Rigaku (1998). RAPID-AUTO. Rigaku Corporation, Tokyo, Japan.
Rigaku/MSC (2004). CrystalStructure. Rigaku/MSC, The Woodlands, Texas, USA.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.
Spek, A. L. (2009). Acta Cryst. D65, 148-155.
Wang, X.-L., Qin, C., Wang, E.-B., Li, Y.-G., Su, Z.-M., Xu, L. & Carlucci, L. (2005). Angew. Chem. Int. Ed. 44, 5824-5827.

metal-organic compounds