4,4′-(Ethene-1,2-di­yl)dipyridinium 4-[2-(pyridin-4-yl)ethen­yl]pyridinium octa­cyanidomolybdate(V) tetra­hydrate

Yang, X.-Z.; Hu, A.-Y.; Yuan, A.-H.

doi:10.1107/S1600536813002985

Volume 69
Part 3
Page m132
March 2013

Received 24 January 2013
Accepted 29 January 2013
Online 2 February 2013

Key indicators
Single-crystal X-ray study
T = 291 K
Mean (C-C) = 0.002 Å
R = 0.021
wR = 0.052
Data-to-parameter ratio = 12.9
Details

4,4'-(Ethene-1,2-diyl)dipyridinium 4-[2-(pyridin-4-yl)ethenyl]pyridinium octacyanidomolybdate(V) tetrahydrate

Xiao-Zhen Yang,^a Ai-Yun Hu ^b and Ai-Hua Yuan ^b ^*

^aSchool of Material Science and Engineering, Jiangsu University of Science and Technology, Zhenjiang 212003, People's Republic of China, and ^bSchool of Biology and Chemical Engineering, Jiangsu University of Science and Technology, Zhenjiang 212003, People's Republic of China
Correspondence e-mail: aihuayuan@163.com

The crystal structure of the title compound, (C₁₂H₁₂N₂)(C₁₂H₁₁N₂)[Mo(CN)₈]·4H₂O, consists of 4,4'-(ethene-1,2-diyl)dipyridinium and 4-[2-(pyridin-4-yl)ethenyl]pyridinium cations disordered over the same site, an [Mo(CN)₈]^3- anion and four water molecules of crystallization. The eight-coordinate [Mo(CN)₈]^3- unit exhibits a slightly distorted square-antiprismatic geometry. In the structure, the cations (crystallographic symmetry, 2) and anions (crystallographic symmetry, 222) are arranged alternately by N-HO and O-HN hydrogen bonds, forming layers parallel to the bc plane. These layers are further linked through O-HN hydrogen bonds, generating a three-dimensional supramolecular network.

Related literature

For general background to the design and construction of multi-functional materials, see: Nowicka et al. (2012); Prins et al. (2007); Sieklucka et al. (2011); Tanase et al. (2008); Zhou et al. (2012). For related structures, see: Liu et al. (2008); Qian et al. (2009).

Experimental

Crystal data

(C₁₂H₁₂N₂)(C₁₂H₁₁N₂)[Mo(CN)₈]·4H₂O
M_r = 743.63
Orthorhombic, C c c a
a = 12.403 (3) Å
b = 16.534 (3) Å
c = 15.370 (3) Å
V = 3151.8 (11) Å³
Z = 4
Mo K radiation
= 0.48 mm^-1
T = 291 K
0.18 × 0.15 × 0.13 mm

Data collection

Bruker SMART APEXII diffractometer
Absorption correction: multi-scan (SADABS; Bruker, 2004) T_min = 0.919, T_max = 0.941
6789 measured reflections
1442 independent reflections
1388 reflections with I > 2(I)
R_int = 0.016

Refinement

R[F² > 2(F²)] = 0.021
wR(F²) = 0.052
S = 1.09
1442 reflections
112 parameters
H-atom parameters constrained
_max = 0.28 e Å^-3
_min = -0.31 e Å^-3

Table 1
Hydrogen-bond geometry (Å, °)

D-HA	D-H	HA	DA	D-HA
O1-H1AN1ⁱ	0.85	2.11	2.9524 (19)	174
O1-H1BN2ⁱⁱ	0.85	2.00	2.8195 (18)	162
N3-H3XO1	0.89	1.86	2.7342 (17)	166
Symmetry codes: (i) $[x+1, y-{\script{1\over 2}}, -z]$ ; (ii) $[-x+{\script{1\over 2}}, -y, z]$ .

Data collection: APEX2 (Bruker, 2004); cell refinement: SAINT (Bruker, 2004); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: DIAMOND (Brandenburg, 2006); software used to prepare material for publication: SHELXTL (Sheldrick, 2008).

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: RZ5039 ).

References

Brandenburg, K. (2006). DIAMOND. Crystal Impact GbR, Bonn, Germany.
Bruker (2004). APEX2, SAINT and SADABS. Bruker AXS Inc., Madison,Wisconsin, USA.
Liu, W.-Y., Zhou, H. & Yuan, A.-H. (2008). Acta Cryst. E64, m1151.
Nowicka, B., Korzeniak, T., Stefanczyk, O., Pinkowicz, D., Chorazy, S., Podgajny, R. & Sieklucka, B. (2012). Coord. Chem. Rev. 256, 1946-1971.
Prins, F., Pasca, E., de Jongh, L. J., Kooijman, H., Spek, A. L. & Tanase, S. (2007). Angew. Chem. Int. Ed. 46, 6081-6084.
Qian, S.-Y., Liu, W.-Y. & Yuan, A.-H. (2009). Acta Cryst. E65, m1031-m1032.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.
Sieklucka, B., Podgajny, R., Korzeniak, T., Nowicka, B., Pinkowicz, D. & Koziel, M. (2011). Eur. J. Inorg. Chem. pp. 305-326.
Tanase, S., de Jongh, L. J., Prins, F. & Evangelisti, M. (2008). ChemPhysChem, 9, 1975-1978.
Zhou, H.-C., Long, J. F. & Yaghi, O. M. (2012). Chem. Rev. 112, 673-674.

metal-organic compounds