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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 [sigma](C-C) = 0.002 Å
R = 0.021
wR = 0.052
Data-to-parameter ratio = 12.9
Details
Open access

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

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-H...O and O-H...N hydrogen bonds, forming layers parallel to the bc plane. These layers are further linked through O-H...N 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[Nowicka, B., Korzeniak, T., Stefanczyk, O., Pinkowicz, D., Chorazy, S., Podgajny, R. & Sieklucka, B. (2012). Coord. Chem. Rev. 256, 1946-1971.]); Prins et al. (2007[Prins, F., Pasca, E., de Jongh, L. J., Kooijman, H., Spek, A. L. & Tanase, S. (2007). Angew. Chem. Int. Ed. 46, 6081-6084.]); Sieklucka et al. (2011[Sieklucka, B., Podgajny, R., Korzeniak, T., Nowicka, B., Pinkowicz, D. & Koziel, M. (2011). Eur. J. Inorg. Chem. pp. 305-326.]); Tanase et al. (2008[Tanase, S., de Jongh, L. J., Prins, F. & Evangelisti, M. (2008). ChemPhysChem, 9, 1975-1978.]); Zhou et al. (2012[Zhou, H.-C., Long, J. F. & Yaghi, O. M. (2012). Chem. Rev. 112, 673-674.]). For related structures, see: Liu et al. (2008[Liu, W.-Y., Zhou, H. & Yuan, A.-H. (2008). Acta Cryst. E64, m1151.]); Qian et al. (2009[Qian, S.-Y., Liu, W.-Y. & Yuan, A.-H. (2009). Acta Cryst. E65, m1031-m1032.]).

[Scheme 1]

Experimental

Crystal data
  • (C12H12N2)(C12H11N2)[Mo(CN)8]·4H2O

  • Mr = 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[alpha] radiation

  • [mu] = 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[Bruker (2004). APEX2, SAINT and SADABS. Bruker AXS Inc., Madison,Wisconsin, USA.]) Tmin = 0.919, Tmax = 0.941

  • 6789 measured reflections

  • 1442 independent reflections

  • 1388 reflections with I > 2[sigma](I)

  • Rint = 0.016

Refinement
  • R[F2 > 2[sigma](F2)] = 0.021

  • wR(F2) = 0.052

  • S = 1.09

  • 1442 reflections

  • 112 parameters

  • H-atom parameters constrained

  • [Delta][rho]max = 0.28 e Å-3

  • [Delta][rho]min = -0.31 e Å-3

Table 1
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
O1-H1A...N1i 0.85 2.11 2.9524 (19) 174
O1-H1B...N2ii 0.85 2.00 2.8195 (18) 162
N3-H3X...O1 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[Bruker (2004). APEX2, SAINT and SADABS. Bruker AXS Inc., Madison,Wisconsin, USA.]); cell refinement: SAINT (Bruker, 2004[Bruker (2004). APEX2, SAINT and SADABS. Bruker AXS Inc., Madison,Wisconsin, USA.]); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); molecular graphics: DIAMOND (Brandenburg, 2006[Brandenburg, K. (2006). DIAMOND. Crystal Impact GbR, Bonn, Germany.]); software used to prepare material for publication: SHELXTL (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]).


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.  [CrossRef] [details]
Nowicka, B., Korzeniak, T., Stefanczyk, O., Pinkowicz, D., Chorazy, S., Podgajny, R. & Sieklucka, B. (2012). Coord. Chem. Rev. 256, 1946-1971.  [ISI] [CrossRef] [ChemPort]
Prins, F., Pasca, E., de Jongh, L. J., Kooijman, H., Spek, A. L. & Tanase, S. (2007). Angew. Chem. Int. Ed. 46, 6081-6084.  [ISI] [CSD] [CrossRef] [ChemPort]
Qian, S.-Y., Liu, W.-Y. & Yuan, A.-H. (2009). Acta Cryst. E65, m1031-m1032.  [CSD] [CrossRef] [details]
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]
Sieklucka, B., Podgajny, R., Korzeniak, T., Nowicka, B., Pinkowicz, D. & Koziel, M. (2011). Eur. J. Inorg. Chem. pp. 305-326.  [ISI] [CrossRef]
Tanase, S., de Jongh, L. J., Prins, F. & Evangelisti, M. (2008). ChemPhysChem, 9, 1975-1978.  [ISI] [CrossRef] [PubMed] [ChemPort]
Zhou, H.-C., Long, J. F. & Yaghi, O. M. (2012). Chem. Rev. 112, 673-674.  [ISI] [CrossRef] [ChemPort] [PubMed]


Acta Cryst (2013). E69, m132  [ doi:10.1107/S1600536813002985 ]

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