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Volume 68 
Part 12 
Pages m1516-m1517  
December 2012  

Received 8 November 2012
Accepted 15 November 2012
Online 24 November 2012

Key indicators
Single-crystal X-ray study
T = 170 K
Mean [sigma](C-C) = 0.004 Å
R = 0.038
wR = 0.098
Data-to-parameter ratio = 12.3
Details
Open access

Bis([mu]-2-carboxymethyl-2-hydroxybutanedioato)bis[diaquamanganese(II)]-1,2-bis(pyridin-4-yl)ethene-water (1/1/2)

aDepartment of Fine Chemistry, Seoul National University of Science & Technology, Seoul 139-743, Republic of Korea,bDepartment of Forest & Environment Resources, Kyungpook National University, Sangju 742-711, Republic of Korea,cDepartment of Forest Resources Development, Korea Forest Research Institute, Suwon 441-350, Republic of Korea, and dDepartment of Chemistry and Nano Science, Ewha Womans University, Seoul 120-750, Republic of Korea
Correspondence e-mail: chealkim@seoultech.ac.kr, ymeekim@ewha.ac.kr

The asymmetric unit of the title compound, [Mn2(C6H6O7)2(H2O)4]·C12H10N2·2H2O, contains half of the centrosymmetric Mn complex dimer, half of a 1,2-bis(pyridin-4-yl)ethene molecule, which lies across an inversion center, and one water molecule. Two citrate ligands bridge two MnII ions, and each MnII atom is coordinated by four O atoms from the citrate ligands (one from hydroxy and three from carboxylate groups) and two water O atoms, forming a distorted octahedral environment. In the crystal, O-H...O and O-H...N hydrogen bonds link the centrosymmetric dimers and lattice water molecules into a three-dimensional structure which is further stabilized by intermolecular [pi]-[pi] interactions [centroid-centroid distance = 3.959 (2) Å]. Weak C-H...O hydrogen bonding interactions are also observed.

Related literature

For interactions of metal ions with biologically active molecules, see: Daniele et al. (2008[Daniele, P. G., Foti, C., Gianguzza, A., Prenesti, E. & Sammartano, S. (2008). Coord. Chem. Rev. 252, 1093-1107.]); Parkin (2004[Parkin, G. (2004). Chem. Rev. 104, 699-767.]); Tshuva & Lippard (2004[Tshuva, E. Y. & Lippard, S. J. (2004). Chem. Rev. 104, 987-1012.]); Stoumpos et al. (2009[Stoumpos, C. C., Gass, I. A., Milios, C. J., Lalioti, N., Terzis, A., Aromi, G., Teat, S. J., Brechin, E. K. & Perlepes, S. P. (2009). Dalton Trans. pp. 307-317.]). For manganese citrate and zinc citrate complexes, see: Hwang et al. (2012a[Hwang, I. H., Kim, P.-G., Kim, C. & Kim, Y. (2012a). Acta Cryst. E68, m1116-m1117.],b[Hwang, I. H., Kim, P.-G., Kim, C. & Kim, Y. (2012b). Acta Cryst. E68, m1305-m1306.]). For related complexes, see: Yu et al. (2009[Yu, S. M., Shin, D. H., Kim, P.-G., Kim, C. & Kim, Y. (2009). Acta Cryst. E65, m1045-m1046.]); Kim et al. (2011[Kim, J. H., Kim, C. & Kim, Y. (2011). Acta Cryst. E67, m3-m4.]).

[Scheme 1]

Experimental

Crystal data
  • [Mn2(C6H6O7)2(H2O)4]·C12H10N2·2H2O

  • Mr = 780.41

  • Triclinic, [P \overline 1]

  • a = 9.3970 (19) Å

  • b = 9.4580 (19) Å

  • c = 10.131 (2) Å

  • [alpha] = 70.24 (3)°

  • [beta] = 67.11 (3)°

  • [gamma] = 75.52 (3)°

  • V = 773.3 (3) Å3

  • Z = 1

  • Mo K[alpha] radiation

  • [mu] = 0.91 mm-1

  • T = 170 K

  • 0.15 × 0.10 × 0.02 mm

Data collection
  • Bruker SMART CCD diffractometer

  • Absorption correction: multi-scan (SADABS; Bruker, 1997[Bruker (1997). SMART, SAINT and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.]) Tmin = 0.876, Tmax = 0.982

  • 4358 measured reflections

  • 2973 independent reflections

  • 2423 reflections with I > 2[sigma](I)

  • Rint = 0.021

Refinement
  • R[F2 > 2[sigma](F2)] = 0.038

  • wR(F2) = 0.098

  • S = 1.08

  • 2973 reflections

  • 241 parameters

  • 8 restraints

  • H atoms treated by a mixture of independent and constrained refinement

  • [Delta][rho]max = 0.47 e Å-3

  • [Delta][rho]min = -0.63 e Å-3

Table 1
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
C12-H12...O3i 0.95 2.48 3.344 (4) 151
C11-H11...O4ii 0.95 2.53 3.143 (3) 123
O9-H9B...O3iii 0.93 (1) 2.56 (3) 3.113 (3) 118 (2)
O9-H9B...O2iii 0.93 (1) 1.88 (1) 2.803 (3) 175 (3)
O9-H9A...O1Wiv 0.93 (1) 1.78 (1) 2.695 (3) 170 (3)
O8-H8B...O5v 0.93 (1) 1.78 (1) 2.707 (3) 173 (3)
O8-H8A...O7iv 0.93 (1) 1.87 (1) 2.769 (3) 163 (3)
O5-H5O...N11vi 0.86 (1) 1.76 (1) 2.625 (3) 178 (3)
O1W-H1WB...O3 0.93 (1) 1.92 (1) 2.843 (3) 175 (3)
O1-H1O...O6 0.86 (1) 1.88 (2) 2.616 (2) 143 (2)
O1W-H1WA...O7vii 0.93 (1) 2.08 (2) 2.891 (3) 145 (3)
Symmetry codes: (i) x+1, y, z-1; (ii) x, y, z-1; (iii) -x+1, -y+2, -z+1; (iv) x+1, y, z; (v) -x+1, -y+1, -z+2; (vi) x, y, z+1; (vii) -x, -y+1, -z+1.

Data collection: SMART (Bruker, 1997[Bruker (1997). SMART, SAINT and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.]); cell refinement: SAINT (Bruker, 1997[Bruker (1997). SMART, 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: SHELXTL (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); software used to prepare material for publication: SHELXTL.


Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: SJ5281 ).


Acknowledgements

Financial support from Forest Science & Technology Projects (S121012L080111) and the Converging Research Center Program through the National Research Foundation of Korea (NRF) funded by the Ministry of Education, Science and Technology (2012001725) is gratefully acknowledged.

References

Bruker (1997). SMART, SAINT and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.
Daniele, P. G., Foti, C., Gianguzza, A., Prenesti, E. & Sammartano, S. (2008). Coord. Chem. Rev. 252, 1093-1107.  [ISI] [CrossRef] [ChemPort]
Hwang, I. H., Kim, P.-G., Kim, C. & Kim, Y. (2012a). Acta Cryst. E68, m1116-m1117.  [CSD] [CrossRef] [details]
Hwang, I. H., Kim, P.-G., Kim, C. & Kim, Y. (2012b). Acta Cryst. E68, m1305-m1306.  [CSD] [CrossRef] [details]
Kim, J. H., Kim, C. & Kim, Y. (2011). Acta Cryst. E67, m3-m4.  [CrossRef] [details]
Parkin, G. (2004). Chem. Rev. 104, 699-767.  [ISI] [CrossRef] [PubMed] [ChemPort]
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]
Stoumpos, C. C., Gass, I. A., Milios, C. J., Lalioti, N., Terzis, A., Aromi, G., Teat, S. J., Brechin, E. K. & Perlepes, S. P. (2009). Dalton Trans. pp. 307-317.  [CSD] [CrossRef]
Tshuva, E. Y. & Lippard, S. J. (2004). Chem. Rev. 104, 987-1012.  [ISI] [CrossRef] [PubMed] [ChemPort]
Yu, S. M., Shin, D. H., Kim, P.-G., Kim, C. & Kim, Y. (2009). Acta Cryst. E65, m1045-m1046.  [CSD] [CrossRef] [details]


Acta Cryst (2012). E68, m1516-m1517   [ doi:10.1107/S1600536812047034 ]

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