Trans-bis­(3-tert-butyl­pyridine-κN)bis­(4-tert-butyl­pyridine-κN)bis­(thio­cyanato-κN)manganese(II)

Reinert, T.; Jess, I.; Näther, C.

doi:10.1107/S1600536812041128

Volume 68
Part 11
Page m1333
November 2012

Received 26 September 2012
Accepted 1 October 2012
Online 6 October 2012

Key indicators
Single-crystal X-ray study
T = 200 K
Mean (C-C) = 0.004 Å
Disorder in main residue
R = 0.049
wR = 0.128
Data-to-parameter ratio = 16.0
Details

Trans-bis(3-tert-butylpyridine-N)bis(4-tert-butylpyridine-N)bis(thiocyanato-N)manganese(II)

Thorben Reinert,^a ^* Inke Jess ^a and Christian Näther ^a

^aInstitut für Anorganische Chemie, Christian-Albrechts-Universität Kiel, Max-Eyth Str. 2, D-24098 Kiel, Germany
Correspondence e-mail: treinert@ac.uni-kiel.de

The asymmetric unit of the title compound [Mn(NCS)₂(C₉H₁₃N)₄] consists of one Mn^II cation located on a center of inversion, one thiocyanato anion, one 3-tert-butylpyridine ligand and one 4-tert-butylpyridine ligand in general positions. The tert-butyl group of the 4-tert-butylpyridine ligand is disordered over two sets of sites in a 0.60:0.40 ratio. The Mn^II cation is coordinated by six N atoms of four tert-butylpyridine ligands and two N-bonded thiocyanato anions within a slightly distorted octahedral coordination environment.

Related literature

For related structures, see: Nassimbeni et al. (1990) (4-tert-butylpyridine only). For the background to this work, see: Boeckmann & Näther (2010, 2011).

Experimental

Crystal data

[Mn(NCS)₂(C₉H₁₃N)₄]
M_r = 711.92
Triclinic, $[P \overline 1]$
a = 9.5921 (7) Å
b = 10.7253 (9) Å
c = 11.6286 (10) Å
= 66.870 (9)°
= 68.011 (9)°
= 76.359 (9)°
V = 1014.59 (17) Å³
Z = 1
Mo K radiation
= 0.46 mm^-1
T = 200 K
0.13 × 0.09 × 0.05 mm

Data collection

STOE IPDS-1 diffractometer
7271 measured reflections
3845 independent reflections
3017 reflections with I > 2(I)
R_int = 0.037

Refinement

R[F² > 2(F²)] = 0.049
wR(F²) = 0.128
S = 1.03
3845 reflections
241 parameters
3 restraints
H-atom parameters constrained
_max = 0.92 e Å^-3
_min = -0.88 e Å^-3

Data collection: X-AREA (Stoe, 2008); cell refinement: X-AREA; data reduction: X-AREA; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: XP in SHELXTL (Sheldrick, 2008) and DIAMOND (Brandenburg, 2011); software used to prepare material for publication: publCIF (Westrip, 2010).

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: IM2404 ).

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 the opportunity to use his experimental facility.

References

Boeckmann, J. & Näther, C. (2010). Dalton Trans. 39, 11019-11026.
Boeckmann, J. & Näther, C. (2011). Chem. Commun. 47, 7104-7106.
Brandenburg, K. (2011). DIAMOND. Crystal Impact GbR, Bonn, Germany.
Nassimbeni, L. R., Niven, M. L. & Taylor, M. W. (1990). Acta Cryst. B46, 354-361.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.
Stoe (2008). X-AREA. Stoe & Cie, Darmstadt, Germany.
Westrip, S. P. (2010). J. Appl. Cryst. 43, 920-925.

metal-organic compounds