catena-Poly[[[(1,10-phenanthroline)copper(I)]-μ-cyanido] ethanol hemisolvate]

In the title coordination polymer, {[Cu(CN)(C12H10N2)]·0.5C2H5OH}n, there are two CuI ions, two 1,10-phenanthroline (phen) ligands and two cyanide ions in the asymmetric unit along with a highly disordered ethanol solvent molecule, which was modelled as being disordered over two sets of sites in a 0.829 (7):0.171 (7) ratio. The orientation/ordering of the C and N atoms of the cyanide ions could not be determined in the present refinement and they were modelled as being statistically disordered. Both copper ions are coordinated by an N,N′-bidentate phen ligand and two cyanide ligands, generating distorted tetrahedral CuN2 Q 2 (Q = C or N) tetrahedra. The μ-cyanide ligands link the metal ions, forming a zigzag chain propagating in [001]. The chains are cross-linked by numerous aromatic π–π stacking contacts between adjacent phen rings [minimum centroid–centroid separation = 3.620 (3) Å].

In the title coordination polymer, {[Cu(CN)(C 12 H 10 N 2 )]Á-0.5C 2 H 5 OH} n , there are two Cu I ions, two 1,10-phenanthroline (phen) ligands and two cyanide ions in the asymmetric unit along with a highly disordered ethanol solvent molecule, which was modelled as being disordered over two sets of sites in a 0.829 (7):0.171 (7) ratio. The orientation/ordering of the C and N atoms of the cyanide ions could not be determined in the present refinement and they were modelled as being statistically disordered. Both copper ions are coordinated by an N,N 0 -bidentate phen ligand and two cyanide ligands, generating distorted tetrahedral CuN 2 Q 2 (Q = C or N) tetrahedra. The -cyanide ligands link the metal ions, forming a zigzag chain propagating in [001]. The chains are crosslinked by numerous aromaticstacking contacts between adjacent phen rings [minimum centroid-centroid separation = 3.620 (3) Å ].

Comment
Metal coordination polymer based on cyanide group have raised intense interest due to their structural diversity and their potential applications in magnetic materials (Holmes & Girolami, 1999;Deng et al., 2008). Up to date, a large number of one-, two-, and three-dimensional coordination polymers have been prepared by the choice of metal-cyanide bridging centers and versatile secondary ligands such as 1,10-phenanthroline and 2,2-pyridine (Dyason et al., 1985;Chesnut et al., 1999;Zhao et al., 2004;Huang et al., 2004). Herein, we obtained one copper coordination polymer of [Cu(C 12 H 10 N 2 )(CN).C 2 H 6 O] n under hydrothermal condition, and its structure was reported.
As depicted in Fig. 1, each Cu i ion is four-coordianted by two N atoms from one 1,10-phenanthroline (phen) ligand and two cyano ligands. The Cu-phen subunits are in turn interconnected by /m 2 -cyano ligands to form a 1D zigzag chain.

Experimental
Copper(I) cyanide (0.089 g, 1 mmol) and 1,10-phenanthroline (0.1801 g, 1 mmol) were added to a mixture of water (5 ml) and ethanol (5 ml). The resultant mixture was sealed in a 20 ml stainless steel reactor with a Teflon liner and kept under autogenous pressure at 413 K for 48 h, and then cooled to room temperature at a rate of 5 K/min. Yellow blocks of (I) formed with a yield of approximately 58% based on 1,10-phenanthroline.

Refinement
The lattice ethanol molecules are arranged as symmetry related pairs around a center of inversion. In the original refinement the molecule showed significantly elongated thermal ellipsoids indicating disorder. The ethanol molecule was thus refined as being disordered over two sites in a ratio of 0.829 (7): 0.171 (7). Due to the significant overlap of the disordered atoms the following restraints and constraints were applied: The adps of the disordered atoms were restrained to be close to isotropic and those of equivalent atoms were set to be identical.
The C and N atoms of each bridging cyano groups are ambiguous and were refined to be same ratios and their equivalent atoms were set to be identical.