Synthesis and crystal structure of a cadmium(II) coordination polymer based on 4,4'-(1-1,2,4-triazole-3,5-di-yl)dibenzoate.

The asymmetric unit of the title compound, -poly[[[aqua-bis-(pyridine-κ)cadmium(II)]-μ-4,4'-(1-1,2,4-triazole-3,5-di-yl)dibenzoato-κ ,':'','''] 4.5-hydrate], {[Cd(CHNO)(CHN)(HO)]·4.5HO} or {[Cd(bct)(py)(HO)]·4.

Synthesis and crystal structure of di-aqua-(1,4,8,11-tetra-aza-cyclo-tetra-deca-ne)zinc(II) bis-(hydrogen 4-phospho-natobiphenyl-4'-carboxyl-ato)(1,4,8,11-tetra-aza-cyclo-tetra-deca-ne)zinc(II).

In the asymmetric unit of the title compound, -di-aqua-(1,4,8,11-tetra-aza-cyclo-tetra-decane-κ , , , )zinc(II) -bis-(hydrogen 4-phospho-natobiphenyl-4'-carboxyl-ato-κ)(1,4,8,11-tetra-aza-cyclo-tetra-decane-κ , , , )zinc(II), [Zn(CHN)(HO)][Zn(CHOP)(CHN)], both Zn atoms lie on crystallographic inversion centres and the atoms of the macrocycle in the cation are disordered over two sets of sites. In both macrocyclic units, the metal ions possess a tetra-gonally elongated ZnNO octa-hedral environment formed by the four secondary N atoms of the macrocyclic ligand in the equatorial plane and the two O atoms of the water mol-ecules or anions in the axial positions, with the macrocyclic ligands adopting the most energetically favourable -III conformation. The average Zn-N bond lengths in both macrocyclic units do not differ significantly [2.

Synthesis and crystal structure of -di-aqua(1,4,8,11-tetra-aza-undeca-ne)copper(II) isophthalate monohydrate.

In the title hydrated mol-ecular salt, [Cu(CHN)(HO)](CHO)·HO, the metal ion is coordinated by the two primary and two secondary N atoms of the amine ligand and the mutually O atoms of the water mol-ecules in a tetra-gonally distorted octa-hedral geometry. The average equatorial Cu-N bond lengths (2.013 and 2.

Synthesis and crystal structure of bis-[-di-aqua-(1,4,8,11-tetra-aza-cyclo-tetra-decane-κ , , , )nickel(II)] -(1,4,8,11-tetra-aza-cyclo-tetra-decane-κ , , , )bis-[4,4',4''-(1,3,5-tri-methyl-benzene-2,4,6-tri-yl)tris-(hydrogen phenyl-phospho-nato-κ)]nickel(II) deca-hydrate.

The components of the title compound, [Ni(CHN)(HO)][Ni(CHN)(CHOP)]·10HO are two centrosymmetric [Ni(CHN)(HO)] dications, a centrosymmetric [Ni(CHN)(CHOP)] tetra-anion and five crystallographically unique water mol-ecules of crystallization. All of the nickel ions are coordinated by the four secondary N atoms of the macrocyclic cyclam ligands, which adopt the most energetically stable -III conformation, and the mutually O atoms of either water mol-ecules in the cations or the phospho-nate groups in the anion in a tetra-gonally distorted NiNO octa-hedral coordination geometry. Strong O-H⋯O hydrogen bonds between the protonated and the non-protonated phospho-nate O atoms of neighboring anions result in the formation of layers oriented parallel to the plane, which are linked into a three-dimensional network by virtue of numerous N-H⋯O and O-H⋯O hydrogen bonds arising from the -NH groups of the macrocycles, phospho-nate O atoms and coordinated and non-coordinated water mol-ecules.

Crystal structure of -di-aqua-(1,4,8,11-tetra-aza-undeca-ne)nickel(II) bis-(pyridine-2,6-di-carboxyl-ato)nickel(II).

The asymmetric unit of the title compound, -di-aqua-(1,4,8,11-tetra-aza-undecane-κ , , , )nickel(II) bis-(pyridine-2,6-di-carboxyl-ato-κ ,, )nickel(II) {[Ni()(HO)][Ni(pdc)] where = 1,4,8,11-tetra-aza-undecane (CHN) and pdc = the dianion of pyridine-2,6-di-carb-oxy-lic acid (CHNO )} consists of an [Ni()(HO)] complex cation and a [Ni(pdc)] anion. The metal ion in the cation is coordinated by the four N atoms of the tetra-amine ligand and the mutually O atoms of the water mol-ecules in a tetra-gonally elongated octa-hedral geometry with the average equatorial Ni-N bond length slightly shorter than the average axial Ni-O bond [2.087 (4) 2.

Crystal structure of [{[Ni(CHN)][Ni(CN)]}·2HO] , a one-dimensional coordination polymer formed from the [Ni(cyclam)] cation and the [Ni(CN)] anion.

The asymmetric unit of the title compound, -poly[[[(1,4,8,11-tetra-aza-cyclo-tetra-decane-κ , , , )nickel(II)]-μ-cyanido-κ :-[bis-(cyanido-κ)nickel(II)]-μ-cyanido-κ :] dihydrate], {[Ni(CN)(CHN)]·2HO] or [{[Ni(CHN)][Ni(CN)]}·2HO] , consists of a pair of crystallographically non-equivalent macrocyclic cations and anions. The nickel(II) ions (all with site symmetry ) are coordinated by the four secondary N atoms of the macrocyclic ligands, which adopt the most energetically stable -III conformation, and the mutually N atoms of the tetra-cyano-nickelate anion in a slightly tetra-gonally distorted NiN octa-hedral coordination geometry. The [Ni(CN))] anion exhibits a bridging function, resulting in the formation of parallel polymeric chains running along the [10] direction.

The first structural characterization of the proton-ated aza-cyclam ligand in -poly[[[(perchlorato)copper(II)]-μ-3-(3-carb-oxy-prop-yl)-1,5,8,12-tetra-aza-3-azonia-cyclo-tetra-deca-ne] bis-(per-chlorate)].

The asymmetric unit of the title com-pound, -poly[[[(perchlorato-κ)copper(II)]-μ-3-(3-carb-oxy-prop-yl)-1,5,8,12-tetra-aza-3-azonia-cyclo-tetra-decane-κ , , , ] bis-(per-chlorate)], {[Cu(CHNO)(ClO)](ClO)} , (I), consists of a macrocyclic cation, one coordinated per-chlorate anion and two per-chlorate ions as counter-anions. The metal ion is coordinated in a tetra-gonally distorted octa-hedral geometry by the four secondary N atoms of the macrocyclic ligand, the mutually O atoms of the per-chlorate anion and the carbonyl O atom of the protonated carb-oxy-lic acid group of a neighbouring cation. The average equatorial Cu-N bond lengths [2.

Crystal structures of -di-aqua-(3--1,3,5,8,12-penta-aza-cyclo-tetra-deca-ne)copper(II) isophthalate hydrates ( = benzyl or pyridin-3-ylmethyl).

The asymmetric units of the title compounds, -di-aqua-(3-benzyl-1,3,5,8,12-penta-aza-cyclo-tetra-decane-κ , , , )copper(II) isophthalate monohydrate, [Cu(CHN)(HO)](CHO)·HO, (I), and -di-aqua-[3-(pyridin-3-ylmeth-yl)-1,3,5,8,12-penta-aza-cyclo-tetra-decane-κ , , , ]copper(II) iso-phthalate 0.9-hydrate, [Cu(CHN)(HO)](CHO)·0.9HO, (II) consist of one di-aqua macrocyclic cation, one di-carboxyl-ate anion and uncoordinated water mol-ecule(s).

Crystal structure of -di-aqua-(3,10-dimethyl-1,3,5,8,10,12-hexa-aza-cyclo-tetra-deca-ne)copper(II) pamoate.

The asymmetric unit of the title compound, -di-aqua-(3,10-dimethyl-1,3,5,8,10,12-hexa-aza-cyclo-tetra-decane-κ , , , )copper(II) 4,4'-methyl-ene-bis(3-hy-droxy-naphthalene-2-carboxyl-ate), [Cu(CHN)(HO)](CHO) {[Cu()(HO)](pam), where = 3,10-dimethyl-1,3,5,8,10,12-hexa-aza-cyclo-tetra-decane and pam = dianion of pamoic acid} consists of two independent halves of the [Cu()(HO)] cation and one di-carboxyl-ate anion. The Cu atoms, lying on inversion centres, are coordinated by the four secondary N atoms of the macrocyclic ligands and the mutually O atoms of the water mol-ecules in a tetra-gonally elongated octa-hedral geometry. The average equatorial Cu-N bond length is significantly shorter than the average axial Cu-O bond length [2.

Catenation control in the two-dimensional coordination polymers based on tritopic carboxylate linkers and azamacrocyclic nickel(II) complexes.

Four new coordination polymer frameworks, namely [(NiL(1))(3)(BTB)(2)]·6H(2)O, [(NiL(2))(3)(BTB)(2)]·6H(2)O, [(NiL(3))(3)(BTB)(2)]·6H(2)O and [(NiL(2))(3)(BTC)(2)]·10.25H(2)O (L(1) = 1,4,8,11-tetraazacyclotetradecane, L(2) = 3-methyl-1,3,5,8,12-pentaazacyclotetradecane, L(3) = 3,10-dimethyl-1,3,5,8,10,12-hexaazacyclotetradecane, BTC(3-) = benzene-1,3,5-tricarboxylate, BTB(3-) = 4,4',4''-benzene-1,3,5-triyl-tribenzoate) were prepared in water-N,N-dimethylformamide solutions. The molecular and crystal structures of these compounds are compared to the related coordination polymers formed by nickel(II) macrocyclic cations to examine the effect of carboxylate linker size on the framework architecture.