catena-Poly[[diiodidocadmium]-μ-[4,4′-(2,3,5,6-tetra­methyl-1,4-phenyl­ene)bis­(methyl­ene)]bis­(3,5-dimethyl-1H-pyrazole)-κ2N2:N2′]

Zhou, Y.; Wang, Z.; Yang, G.; Ng, S.W.

doi:10.1107/S1600536811025797

Volume 67
Part 8
Page m1037
August 2011

Received 28 June 2011
Accepted 29 June 2011
Online 6 July 2011

Key indicators
Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.008 Å
R = 0.054
wR = 0.134
Data-to-parameter ratio = 21.5
Details

catena-Poly[[diiodidocadmium]--[4,4'-(2,3,5,6-tetramethyl-1,4-phenylene)bis(methylene)]bis(3,5-dimethyl-1H-pyrazole)-²N²:N^2']

Yuanyuan Zhou,^a Zhaoyang Wang,^a Guang Yang ^a and Seik Weng Ng ^b,^c ^*

^aDepartment of Chemistry, Zhengzhou University, Zhengzhou 450001, People's Republic of China,^bDepartment of Chemistry, University of Malaya, 50603 Kuala Lumpur, Malaysia, and ^c Chemistry Department, Faculty of Science, King Abdulaziz University, PO Box 80203 Jeddah, Saudi Arabia
Correspondence e-mail: seikweng@um.edu.my

The heterocylic ligand of the polymeric title compound, [CdI₂(C₂₂H₃₀N₄)], links two adjacent CdI₂ units, forming a chain running parallel to [ $[\overline{1}]$ 01]. The Cd^II atom is located on a twofold rotation axis and shows a distorted tetrahedral CdI₂N₂ coordination. The mid-point of the benzene ring of the ligand lies on a center of inversion. There are no classical hydrogen-bonding interactions present.

Related literature

For the synthesis of the ligand, see: Trofimenko (1970).

Experimental

Crystal data

[CdI₂(C₂₂H₃₀N₄)]
M_r = 716.70
Monoclinic, C 2/c
a = 22.118 (8) Å
b = 6.840 (2) Å
c = 17.057 (6) Å
= 93.407 (5)°
V = 2575.8 (16) Å³
Z = 4
Mo K radiation
= 3.26 mm^-1
T = 293 K
0.20 × 0.20 × 0.20 mm

Data collection

Rigaku Saturn 724 CCD diffractometer
Absorption correction: multi-scan (CrystalClear; Rigaku, 2006) T_min = 0.763, T_max = 1.000
14901 measured reflections
2951 independent reflections
2589 reflections with I > 2(I)
R_int = 0.041

Refinement

R[F² > 2(F²)] = 0.054
wR(F²) = 0.134
S = 1.18
2951 reflections
137 parameters
H-atom parameters constrained
_max = 1.12 e Å^-3
_min = -0.74 e Å^-3

Data collection: CrystalClear (Rigaku, 2006); cell refinement: CrystalClear; data reduction: CrystalClear; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: X-SEED (Barbour, 2001); software used to prepare material for publication: publCIF (Westrip, 2010).

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: WM2507 ).

Acknowledgements

We thank Zhengzhou University and the University of Malaya for supporting this study.

References

Barbour, L. J. (2001). J. Supramol. Chem. 1, 189-191.
Rigaku (2006). CrystalClear. Rigaku/MSC Inc., The Woodlands, Texas, USA.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.
Trofimenko, S. (1970). J. Am. Chem. Soc. 92, 5118-5126.
Westrip, S. P. (2010). J. Appl. Cryst. 43, 920-925.

metal-organic compounds

catena-Poly[[diiodidocadmium]--[4,4'-(2,3,5,6-tetramethyl-1,4-phenylene)bis(methylene)]bis(3,5-dimethyl-1H-pyrazole)-2N2:N2']