Poly[bis[μ-1,4-bis(imidazol-1-yl)butane]dicyanatocadmium(II)]

The coordination geometry of the CdII atom in the title complex, [Cd(NCO)2(C10H14N4)2]n or [Cd(NCO)2(bimb)2]n, where bimb is 1,4-bis(imidazol-1-yl)butane, is distorted octahedral with the CdII atom located on an inversion center and connected to four N atoms from the imidazole units of four symmetry-related bimb ligands and two O atoms from two symmetry-related NCO− ligands. The CdII atoms are bridged by four bimb ligands, forming a two-dimensional (4,4) network.


Poly[bis[µ-1,4-bis(imidazol-1-yl)butane]dicyanatocadmium(II)]
Xia Zhu, Ying Guo and Yun-Ling Zou S1. Comment The coordination environment of the Cd II atom in the title compound is shown in Fig. 1. Each Cd II atom is situated at the center of the symmetry. The coordination geometry of the Cd II atom is distorted octahedral, with the metal center between the two imidazole rings in the ligand planes is 51.15 (8)°. Each Cd II atom is bridged by four bimb ligands to form a neutral two-dimensional (4,4) network (Fig. 2). The networks contain square grids (44-membered ring), with a Cd II atom at each corner and a bimb molecule at each edge connecting two Cd II atoms. The edge lengths are 13.8184 (14) Å, which is obviously longer than the corresponding Cd ··· Cd separation (9.0819 (2) Å) for [Cd(bimb) 2 (NCS) 2 ] n in which bimb ligands show the gauche-anti-gauche conformation (Zhang et al., 2008).
The two-dimensional networks parallel to (102) are stacked in an offset fashion along the c direction. In the superposition structure, the networks are arranged in the sequence ···A-B-A-B··· mode (Fig. 3). The cyanate anions are located in the voids.
[Cd(bimb) 2 (NCS) 2 ] n has an one-dimensional chain structure with double bridging bimb ligands (Zhang et al., 2008). In the present work a two-dimensional cadmium(II) coordination polymer with the (4,4) network was synthesized when cyanate anions were used instead of thiocyanate anions. The factors which play the key role in the construction of the coordination polymers are not very clear. More work is need to extend the knowledge of the coordination polymers.  The coordination environment of the Co II atom in the title compound with the displacement ellipsoids at the 30% probability level. [Symmetry codes: # -x + 2, -y + 1, -z + 1; $ -x + 1, y -1/2, -z + 3/2; * x + 1, -y + 3/2, z -1/2]. Hydrogen atoms have been omitted for clarity.  View of the two-dimensional (4,4) network of the title compound along the c direction.

Figure 3
The cell packing of the title compound.

Poly[bis[µ-1,4-bis(imidazol-1-yl)butane]dicyanatocadmium(II)]
Crystal data 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.