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Volume 69 
Part 6 
Page m319  
June 2013  

Received 6 May 2013
Accepted 8 May 2013
Online 15 May 2013

Key indicators
Single-crystal X-ray study
T = 220 K
Mean [sigma](C-C) = 0.005 Å
R = 0.041
wR = 0.112
Data-to-parameter ratio = 14.7
Details
Open access

catena-Poly[[[bis(methanol-[kappa]O)bis(selenocyanato-[kappa]N)manganese(II)]-[mu]-1,2-bis(pyridin-4-yl)ethene-[kappa]2N:N'] 1,2-bis(pyridin-4-yl)ethene monosolvate]

aInstitut für Anorganische Chemie, Christian-Albrechts-Universität Kiel, Max-Eyth-Strasse 2, 24118 Kiel, Germany
Correspondence e-mail: swoehlert@ac.uni-kiel.de

In the crystal structure of the title compound, {[Mn(NCSe)2(C12H10N2)(CH3OH)2]·C12H10N2}n, the MnII cation is coordinated by two terminal N-bonded selenocyanate anions, two methanol molecules and two 1,2-bis(pyridin-4-yl)ethene (bpe) ligands within a slightly distorted octahedral geometry. The MnII cations are linked into chains along the c-axis direction by the bpe ligands, which are further connected by intermolecular O-H...N hydrogen bonding between the methanol H atoms and additional bpe molecules that are not coordinated to the metal atoms. The MnII cation and both crystallographically independent bpe ligands are located on centers of inversion, whereas the selenocyanate and methanol ligands occupy general positions.

Related literature

For background to this work see: Boeckmann & Näther (2010[Boeckmann, J. & Näther, C. (2010). Dalton Trans. 39, 11019-11026.], 2012[Boeckmann, J. & Näther, C. (2012). Polyhedron, 31, 587-595.]); Wöhlert et al. (2012[Wöhlert, S., Jess, I. & Näther, C. (2012). Z. Naturforsch. Teil B, 67, 41-50.]).

[Scheme 1]

Experimental

Crystal data
  • [Mn(NCSe)2(C12H10N2)(CH4O)2]·C12H10N2

  • Mr = 693.42

  • Monoclinic, P 21 /c

  • a = 7.3580 (6) Å

  • b = 17.2445 (11) Å

  • c = 12.1219 (9) Å

  • [beta] = 92.630 (9)°

  • V = 1536.5 (2) Å3

  • Z = 2

  • Mo K[alpha] radiation

  • [mu] = 2.83 mm-1

  • T = 220 K

  • 0.13 × 0.08 × 0.05 mm

Data collection
  • Stoe IPDS-1 diffractometer

  • Absorption correction: numerical (X-SHAPE and X-RED32; Stoe & Cie, 2008[Stoe & Cie (2008). X-AREA, X-RED32 and X-SHAPE. Stoe & Cie, Darmstadt, Germany.]) Tmin = 0.754, Tmax = 0.862

  • 14170 measured reflections

  • 2633 independent reflections

  • 2072 reflections with I > 2[sigma](I)

  • Rint = 0.091

Refinement
  • R[F2 > 2[sigma](F2)] = 0.041

  • wR(F2) = 0.112

  • S = 0.99

  • 2633 reflections

  • 179 parameters

  • H-atom parameters constrained

  • [Delta][rho]max = 0.38 e Å-3

  • [Delta][rho]min = -0.78 e Å-3

Table 1
Selected bond lengths (Å)

Mn1-N1 2.185 (3)
Mn1-O1 2.188 (2)
Mn1-N10 2.281 (2)

Table 2
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
O1-H1O1...N30 0.83 1.85 2.675 (4) 173

Data collection: X-AREA (Stoe & Cie, 2008[Stoe & Cie (2008). X-AREA, X-RED32 and X-SHAPE. Stoe & Cie, Darmstadt, Germany.]); cell refinement: X-AREA; data reduction: X-AREA; 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: XP in SHELXTL (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]) and DIAMOND (Brandenburg, 2011[Brandenburg, K. (2011). DIAMOND. Crystal Impact GbR, Bonn, Germany.]); software used to prepare material for publication: XCIF in SHELXTL and publCIF (Westrip, 2010[Westrip, S. P. (2010). J. Appl. Cryst. 43, 920-925.]).


Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: ZL2549 ).


Acknowledgements

We gratefully acknowledge financial support by the DFG (project No. NA 720/3-1) and the State of Schleswig-Holstein. We thank Professor Dr Wolfgang Bensch for access to his experimental facility.

References

Boeckmann, J. & Näther, C. (2010). Dalton Trans. 39, 11019-11026.  [CSD] [CrossRef] [ChemPort] [PubMed]
Boeckmann, J. & Näther, C. (2012). Polyhedron, 31, 587-595.  [ISI] [CSD] [CrossRef] [ChemPort]
Brandenburg, K. (2011). DIAMOND. Crystal Impact GbR, Bonn, Germany.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [ChemPort] [details]
Stoe & Cie (2008). X-AREA, X-RED32 and X-SHAPE. Stoe & Cie, Darmstadt, Germany.
Westrip, S. P. (2010). J. Appl. Cryst. 43, 920-925.  [ISI] [CrossRef] [ChemPort] [details]
Wöhlert, S., Jess, I. & Näther, C. (2012). Z. Naturforsch. Teil B, 67, 41-50.


Acta Cryst (2013). E69, m319  [ doi:10.1107/S1600536813012609 ]

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