A triclinic polymorph of poly[[bis­[μ-1,2-bis­(pyridin-4-yl)ethene-κ2N:N′]bis­(thio­cyanato-κN)cobalt(II)] 1,2-bis­(pyridin-4-yl)ethene monosolvate]

Wöhlert, S.; Jess, I.; Näther, C.

doi:10.1107/S1600536812019009

Volume 68
Part 6
Pages m733-m734
June 2012

Received 20 April 2012
Accepted 27 April 2012
Online 5 May 2012

Key indicators
Single-crystal X-ray study
T = 170 K
Mean (C-C) = 0.008 Å
R = 0.054
wR = 0.166
Data-to-parameter ratio = 12.0
Details

A triclinic polymorph of poly[[bis[-1,2-bis(pyridin-4-yl)ethene-²N:N']bis(thiocyanato-N)cobalt(II)] 1,2-bis(pyridin-4-yl)ethene monosolvate]

Susanne Wöhlert,^a ^* Inke Jess ^a and Christian Näther ^a

^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, [Co(NCS)₂(C₁₂H₁₀N₂)₂]·C₁₂H₁₀N₂, the Co^II cations are octahedrally coordinated by two terminally N-bonded thiocyanate anions and four 1,2-bis(pyridin-4-yl)ethene (bpe) ligands. The asymmetric unit consists of three crystallographically independent Co^II cations, six thiocyanate anions and six coordinating bpe ligands in general positions. Additionally, three non-coordinating bpe ligands are present in the asymmetric unit with two of them located on a center of inversion. The Co^II cations are connected by the bpe ligands into layers parallel to the bc plane. The crystal investigated was non-merohedrically twinned, with a fractional contribution of 0.261 (2) for the minor domain.

Related literature

For background to this work see: Boeckmann & Näther (2010), Wriedt et al. (2009). For the monoclinic polymorph of the title compound, see: Wöhlert et al. (2011).

Experimental

Crystal data

[Co(NCS)₂(C₁₂H₁₀N₂)₂]·C₁₂H₁₀N₂
M_r = 721.75
Triclinic, $[P \overline 1]$
a = 13.7954 (14) Å
b = 13.8916 (13) Å
c = 27.848 (2) Å
= 99.892 (10)°
= 90.547 (11)°
= 91.269 (11)°
V = 5255.7 (8) Å³
Z = 6
Mo K radiation
= 0.65 mm^-1
T = 170 K
0.3 × 0.2 × 0.2 mm

Data collection

Stoe IPDS-1 diffractometer
15899 measured reflections
15899 independent reflections
11067 reflections with I > 2(I)
_max = 24.1°

Refinement

R[F² > 2(F²)] = 0.054
wR(F²) = 0.166
S = 1.03
15899 reflections
1326 parameters
H-atom parameters constrained
_max = 0.84 e Å^-3
_min = -0.68 e Å^-3

Data collection: X-AREA (Stoe & Cie, 2008); cell refinement: X-AREA; data reduction: X-RED32 (Stoe & Cie, 2008); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: XP (Sheldrick, 2008) and DIAMOND (Brandenburg, 2011); software used to prepare material for publication: CIFTAB (Sheldrick, 2008).

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: BT5886 ).

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 Bensch for access to his experimental facility.

References

Boeckmann, J. & Näther, C. (2010). Dalton Trans. 39, 1119-1126.
Brandenburg, K. (2011). DIAMOND. Crystal Impact GbR, Bonn, Germany.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.
Stoe & Cie (2008). X-AREA and X-RED32. Stoe & Cie, Darmstadt, Germany.
Wöhlert, S., Boeckmann, J., Wriedt, M. & Näther, C. (2011). Angew. Chem. Int. Ed., 50, 6920-6923.
Wriedt, M., Jess, I. & Näther, C. (2009). Eur. J. Inorg. Chem. pp. 1406-1413.

metal-organic compounds

A triclinic polymorph of poly[[bis[-1,2-bis(pyridin-4-yl)ethene-2N:N']bis(thiocyanato-N)cobalt(II)] 1,2-bis(pyridin-4-yl)ethene monosolvate]