[(B3O3H3)(n)M]+ (n = 1, 2;M = Cu, Ag, Au): a new class of metal-cation complexes.

A density functional theory (DFT) investigation into the structures and bonding characteristics of [(B3O3H3)nM](+)(n = 1, 2;M = Cu, Ag, Au) complexes was performed. DFT calculations and natural bond orbital (NBO) analyses indicate that the ΙB metal complexes of boroxine exhibit intriguing bonding characteristics, different from the typical cation-π interactions between ΙB metal-cations and benzene. The complexes of [B3O3H3M](+) and [(B3O3H3)2 M](+) (M = Cu, Ag, and Au) favor the conformation of perfectly planar structures with the C2v and D2h symmetry along one of the threefold molecular axes of boroxine, respectively.

Diaqua-(nitrato-κO,O')[2-(1H-1,2,4-triazol-1-yl-κN)-1,10-phenanthroline-κN,N']cadmium(II) nitrate.

In the title complex, [Cd(C(14)H(9)N(5))(NO(3))(H(2)O)(2)]NO(3), the Cd(II) ion is coordinated in a distorted penta-gonal-bipyramidal geometry. The equatorial sites are occupied by a 2-(1H-1,2,4-triazol-1-yl)-1,10-phenanthroline ligand in a tridentate coordination mode and a bis-chelating nitrate ligand. Two aqua ligands are coordinated at the axial sites.

catena-Poly[[(1,10-phenanthroline-κN,N')copper(I)]-μ-thio-cyanato-κN:S].

In the title complex, [Cu(NCS)(C(12)H(8)N(2))](n), the Cu(I) ion is in a distorted tetra-hedral CuN(3)S coordination geometry. The thio-cyanate ligand acts as bridging ligand, forming chains along [100]. A crystallographic mirror plane runs through the Cu(I) ion, the thio-cyanate ligand and the middle of the phenanthroline ligand.

Chlorido[2,2'-(oxydimethyl-ene)-dipyridine]copper(II) perchlorate-aqua-chlorido[2,2'-(oxydimethyl-ene)-dipyridine]copper(II) perchlorate (1/1).

The asymmetric unit of the title compound, [CuCl(C(12)H(12)N(2)O)][CuCl(C(12)H(12)N(2)O)(H(2)O)](ClO(4))(2), contains two different discrete cations. In one cation, the Cu(II) ion is coordinated in a slightly distorted square-planar geometry, while in the other the Cu(II) ion is in a slightly distorted square-pyramidal environment. In the crystal structure, there are O-H⋯O hydrogen bonds between coordinated water mol-ecules and perchlorate anions.

2,9-Bis(4-pyridylmeth-oxy)-1,10-phenanthroline.

In the title mol-ecule, C(24)H(18)N(4)O(2), the dihedral angles between the mean plane of the phenanthroline ring system and the pyridine rings are 82.52 (5) and 71.58 (4)°.

Dichlorido[2,2'-(1,10-phenanthrolin-2-ylimino)diethanol]cadmium(II).

In the title complex, [CdCl(2)(C(16)H(17)N(3)O(2))], the metal atom exhibits a distorted trigonal-bipyramidal coordination geometry. O-H⋯O and O-H⋯Cl hydrogen bonds involving hydr-oxy groups and one of coordinated Cl atoms link complexes in the crystal packing. There is a π-π stacking inter-action between adjacent 1,10-phenanthroline rings, with a distance of 3.

9-(2-Pyridylmeth-oxy)-1,10-phenanthrolin-1-ium perchlorate methanol solvate.

In the title organic salt, C(18)H(14)N(3)O(+)·ClO(4) (-)·CH(4)O, there is a π-π stacking inter-action between neighbouring 1,10-phenanthroline rings and the relevant distances are 3.5453 (18) Å for the centroid-centroid distance and 3.354 Å for the perpendicular distance.

Dichlorido(2-meth-oxy-1,10-phenanthroline-κN,N')zinc(II).

There are two molecules of the title complex, [ZnCl(2)(C(13)H(10)N(2)O)], in the asymmetric unit. Each Zn atom assumes a distorted tetra-hedral ZnN(2)Cl(2) coordination geometry. There are weak π-π stacking inter-actions between adjacent 1,10-phenanthroline rings [centroid-centroid distances = 3.

(2-Meth-oxy-1,10-phenanthroline-κN,N')bis-(thio-cyanato-κN)zinc(II).

In the title complex, [Zn(NCS)(2)(C(13)H(10)N(2)O)], the Zn(II) ion is in a distorted tetra-hdral ZnN(2)Cl(2) coordination environment. In the crystal structure, there is a weak π-π stacking inter-action between adjacent 1,10-phenanthroline rings, with a pyridine centroid-centroid distance of 3.6620 (15) Å.

Bis(2-dimethylamino-1,10-phenanthroline-κN,N')bis-(thio-cyanato-κN)nickel(II) methanol disolvate.

In the title complex, [Ni(NCS)(2)(C(14)H(13)N(3))(2)]·2CH(3)OH, the Ni(II) atom lies on a crystallographic twofold rotation axis and is in a slightly distorted octa-hedral NiN(6) coordination environment. The crystal structure is stabilized by a combination of weak π-π stacking inter-actions between symmetry-related 1,10-phenanthroline ligands [centroi-centroid distance between benzene rings = 3.5936 (18) Å] and weak O-H⋯S, C-H⋯O and C-H⋯S hydrogen bonds between methanol and complex mol-ecules.

(Dicyanamido)[tris-(2-pyridylmeth-yl)amine]zinc(II) perchlorate.

In the title complex, [Zn(C(2)N(3))(C(18)H(18)N(4))]ClO(4), the Zn(II) ion has a slightly distorted trigonal-bipyramidal ZnN(5) coordination geometry. The crystal structure is stabilized by weak inter-molecular C-H⋯O and C-H⋯N hydrogen bonds. In addition, there are relatively close contacts between the O atoms of the perchlorate anion and symmetry-related pyridine rings [O⋯Cg = 3.

Aqua-bis(3'-hydr-oxy-2,2'-bipyridine-3-olato-κN,N')zinc(II).

In the title complex, [Zn(C(10)H(7)N(2)O(2))(2)(H(2)O)], the Zn(II) ion and water O atom are located on a crystallographic twofold rotation axis and the metal atom assumes a distorted trigonal-bipyramidal ZnN(4)O coordination geometry. An intra-molecular O-H⋯O hydrogen bond occurs within the ligand and inter-molecular O-H⋯O hydrogen bonds involving the water mol-ecule result in a sheet structure in the crystal structure. In addition, a short C-O⋯π contact between the O atom of the deprotonated hydroxyl group and a nearby pyridine ring [O⋯Cg = 3.