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Volume 68 
Part 12 
Page m1528  
December 2012  

Received 15 November 2012
Accepted 20 November 2012
Online 24 November 2012

Key indicators
Single-crystal X-ray study
T = 180 K
Mean [sigma](C-C) = 0.003 Å
R = 0.044
wR = 0.121
Data-to-parameter ratio = 20.8
Details
Open access

Bis[4-(dimethylamino)pyridinium] bis[4-(dimethylamino)pyridine-[kappa]N1]tetrakis(thiocyanato-[kappa]N)manganate(II)

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, (C7H11N2)2[Mn(NCS)4(C7H10N2)2], the manganese(II) cations are coordinated by four N-bonded thiocyanate anions and two N-bonded 4-(dimethylamino)pyridine ligands into discrete complex dianions. For charge balance, two 4-(dimethylamino)pyridine counter cations are present, which do not coordinate to the metal cation. The asymmetric unit consists of one manganese(II) cation, four thiocyanate anions and two 4-(dimethylamino)pyridine ligands, as well as two protonated 4-(dimethylamino)pyridinium cations. The discrete complex anions are connected to the non-coordinating pyridinium cations by weak N-H...S hydrogen-bonding interactions.

Related literature

For general background, see: Boeckmann & Näther (2011[Boeckmann, J. & Näther, C. (2011). Dalton Trans. 39, 11019-11026.], 2012[Boeckmann, J. & Näther, C. (2012). Polyhedron, 31 587-595.]).

[Scheme 1]

Experimental

Crystal data
  • (C7H11N2)2[Mn(NCS)4(C7H10N2)2]

  • Mr = 777.96

  • Triclinic, [P \overline 1]

  • a = 11.7307 (8) Å

  • b = 11.9010 (9) Å

  • c = 15.4224 (12) Å

  • [alpha] = 102.520 (9)°

  • [beta] = 96.794 (9)°

  • [gamma] = 107.400 (8)°

  • V = 1966.6 (3) Å3

  • Z = 2

  • Mo K[alpha] radiation

  • [mu] = 0.59 mm-1

  • T = 180 K

  • 0.18 × 0.11 × 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 = 0.873, Tmax = 0.968

  • 24452 measured reflections

  • 9338 independent reflections

  • 6752 reflections with I > 2[sigma](I)

  • Rint = 0.041

Refinement
  • R[F2 > 2[sigma](F2)] = 0.044

  • wR(F2) = 0.121

  • S = 1.02

  • 9338 reflections

  • 450 parameters

  • H-atom parameters constrained

  • [Delta][rho]max = 0.80 e Å-3

  • [Delta][rho]min = -0.72 e Å-3

Table 1
Selected bond lengths (Å)

Mn1-N1 2.1928 (17)
Mn1-N2 2.2014 (19)
Mn1-N3 2.2468 (19)
Mn1-N4 2.2535 (18)
Mn1-N20 2.2561 (16)
Mn1-N10 2.2659 (16)

Table 2
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
N30-H30...S4 0.88 2.36 3.217 (2) 165
N40-H40A...S3i 0.88 2.35 3.213 (3) 166
Symmetry code: (i) x+1, y+1, z+1.

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, 2012[Brandenburg, K. (2012). DIAMOND. Crystal Impact GbR, Bonn, Germany.]); software used to prepare material for publication: XCIF in SHELXTL.


Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: VM2182 ).


Acknowledgements

We gratefully acknowledge financial support by the State of Schleswig-Holstein and the Deutsche Forschungsgemeinschaft (Project 720/3-1). We thank Professor Dr Wolfgang Bensch for access to his experimental facility.

References

Boeckmann, J. & Näther, C. (2011). Dalton Trans. 39, 11019-11026.  [CSD] [CrossRef]
Boeckmann, J. & Näther, C. (2012). Polyhedron, 31 587-595.  [ISI] [CSD] [CrossRef] [ChemPort]
Brandenburg, K. (2012). DIAMOND. Crystal Impact GbR, Bonn, Germany.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]
Stoe & Cie (2008). X-AREA, X-RED32 and X-SHAPE. Stoe & Cie, Darmstadt, Germany.


Acta Cryst (2012). E68, m1528  [ doi:10.1107/S1600536812047678 ]

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