catena-Poly[[[bis(methanol-κO)bis(selenocyanato-κN)manganese(II)]-μ-1,2-bis(pyridin-4-yl)ethane-κ2 N:N′] 1,2-bis(pyridin-4-yl)ethane monosolvate]

The reaction of manganese selenocyanate with 1,2-bis(pyridin-4-yl)ethane (bpa) leads to the title compound, {[Mn(NCSe)2(C12H12N2)(CH3OH)2]·C12H12N2}n. The MnII cation is coordinated by two N-bonded selenocyanate anions, two bpa ligands and two O-bonded methanol molecules, within a slightly distorted octahedral geometry. The MnII cations and the non-coordinating N-donor ligands are located on centers of inversion while the coordinating N-donor co-ligands are located on a twofold rotation axis. In the crystal, the MnII cations are linked into chains along the c-axis direction by the bpa ligands. The chains are further connected via a non-coordinating bpa ligand into layers parallel to (3-10) via O—H⋯N hydrogen-bonding interactions.

The reaction of manganese selenocyanate with 1,2-bis-(pyridin-4-yl)ethane (bpa) leads to the title compound, {[Mn(NCSe) 2 (C 12 H 12 N 2 )(CH 3 OH) 2 ]ÁC 12 H 12 N 2 } n . The Mn II cation is coordinated by two N-bonded selenocyanate anions, two bpa ligands and two O-bonded methanol molecules, within a slightly distorted octahedral geometry. The Mn II cations and the non-coordinating N-donor ligands are located on centers of inversion while the coordinating N-donor coligands are located on a twofold rotation axis. In the crystal, the Mn II cations are linked into chains along the c-axis direction by the bpa ligands. The chains are further connected via a non-coordinating bpa ligand into layers parallel to (310) via O-HÁ Á ÁN hydrogen-bonding interactions.

Susanne Wöhlert, Inke Jess and Christian Näther Comment
Recently, we have reported on the synthesis and characterization of thiocyanate coordination polymers with monodentate and bidentate neutral co-ligands like e.g. pyridine, pyridazine or 1,2-bis(pyridin-4-yl)ethylene (Boeckmann & Näther, 2010Wöhlert & Näther, 2012a;Wöhlert & Näther, 2012b). Within this project we investigated the influence of the neutral co-ligand on the structural, thermal and magnetic properties of such compounds. In further work we also investigated the influence of the anionic ligand. In this context we have reported a new coordination polymer based on cobalt(II) selenocyanate and 1,2-bis(pyridin-4-yl)ethylene, in which the cobalt(II) cations are connected by the selenocyanato anions into chains that are further linked into layers by the neutral N-donor co-ligand (Wöhlert et al., 2012). In the present investigation we tried to prepare similar compounds with manganese(II) selenocyanate and 1,2-bis(pyridin-4yl)ethane (bpa), which results in the formation of single-crystals of the title compound.
The asymmetric unit of the title compound [Mn(NCSe) 2 (C 12 H 12 N 2 )(CH 3 OH) 2 ] n . nC 12 H 12 N 2 solvate consists of a manganese(II) cation and one non-coordinating bpa ligand which are located on a center of inversion, one coordinating bpa ligand on a 2-fold rotation axis and one selenocyanate anion and one methanol molecule in general positions (Fig. 1).
In the crystal structure each manganese(II) cation is coordinated by two terminal N-bonded selenocyanate anions, two Obonded methanol molecules and two N-bonded bpa ligands within slightly distorted octahedra. The MnN 4 O 2 distances ranges from 2.180 (3) Å to 2.322 (2) Å with angles around the manganese(II) cation between 88.87 (9) ° to 91.13 (9) ° and of 180 ° (Tab. 1). The manganese(II) cations are linked by the bpa ligands into chains which elongate in the direction of the crystallographic c-axis (Fig. 2). These chains are further linked into layers parallel to the (3 -1 0) plane by noncoordinated bpa molecules via O-H-N hydrogen bonding (Fig. 3).

Refinement
The C-H H atoms were positions with idealized geometry (methyl H atoms allowed to rotate but not to tip) and were refined with U iso (H) = 1.2 U eq (C) (1.5 for methyl H atoms) using a riding model with C-H = 0.93 Å, C-H 2 = 0.97 Å and C-H 3 = 0.96 Å. The O-H H atom of the methanol molecule was located in difference map, its bond length was set to 0.82 Å and finally it was refined with U iso (H) = 1.2 U eq (O) using a riding model. SHELXL97 (Sheldrick, 2008); molecular graphics: XP in SHELXTL (Sheldrick, 2008) and DIAMOND (Brandenburg, 2011); software used to prepare material for publication: XCIF in SHELXTL (Sheldrick, 2008).

Figure 1
The crystal structure of the title compound with labeling and displacement ellipsoids drawn at the 50% probability level.

Special details
Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes. Refinement. Refinement of F 2 against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F 2 , conventional R-factors R are based on F, with F set to zero for negative F 2 . The threshold expression of F 2 > σ(F 2 ) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F 2 are statistically about twice as large as those based on F, and R-factors based on ALL data will be even larger.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å 2 )
x y z U iso */U eq