A series of iron(III) 1-D polymeric materials of the general formula [Fe(III)(Schiff-base)(L)](BPh(4)).n(CH(3)OH) (Schiff base = N,N'-ethylenebis(salicylaldimine) (H(2)salen), N,N'-o-phenylenebis(salicylaldimine) (H(2)salophen) and N,N'-ethylenebis(acety1acetone)-2,2'-imine (H(2) acen); L = bridging di-pyridyl or di-imidazole ligand, n = 0-4) and analogues therein, have been synthesised and str...

The first model of the iron hydrogenase active site has been prepared in which an amine ligand is loosely coordinated to an Fe(i) centre, and can be replaced by a solvent molecule; irrespective of the ligand set, the one electron reduction of both complexes is chemically reversible and is shown to proceed through the same species which features a bridging CO ligand.

In the centrosymmetric dinuclear title complex, [Hg(2)Cl(4)(C(12)H(9)N(3)O(2))(2)], the Hg(II) ion is in a distorted square-pyramidal coordination environment formed by the N atoms of the diimine ligand, two bridging Cl atoms and one terminal Cl atom. One of the bridging Hg-Cl bonds is significantly longer than the other.

The binuclear title complex, [Cu(2)Cl(4)(C(14)H(14)N(2))(2)], is located on a crystallographic inversion centre. The Cu(II) ion is in a distorted square-pyramid coordination environment formed by the bichelating N-heterocyclic ligand, two bridging Cl atoms and one terminal Cl atom. One of the bridging Cu-Cl bonds is significantly longer than the other.

The unique Hg(II) ion in the title centrosymmetric dinuclear complex, [Hg(2)Cl(4)(C(12)H(9)BrN(2))(2)], is in a distorted trigonal-bipyramidal coordination environment formed by the bis-chelating N-heterocyclic ligand, two bridging Cl atoms and one terminal Cl atom. One of the bridging Hg-Cl bonds is significantly longer than the other.

Density functional theory calculations were used to examine the role of the urease model complex [Ni2(bdptz)(micro-OH)(micro-H2O)(H2O)2](OTs)3(bdptz=1,4-bis(2,2'-dipyridylmethyl)-phthalazine; OTs=tosylate) in the degradation of urea. An elimination mechanism that converts urea to ammonium cyanate was investigated in detail. The lowest energy pathway involves urea coordination through the oxygen...

In the title dinuclear complex, [Cu(2)(C(5)H(6)BrN(2))Cl(3)(C(5)H(7)BrN(2))(4)]·CH(3)CN, both Cu(II) ions are in slightly distorted square-pyramidal coordination geometries. The basal planes are defined by three N atoms from three 4-bromo-3,5-dimethyl-pyrazolate ligands, one of which is bridging, and one Cl ligand. A bridging Cl ligand forms the apical site for both Cu(II) ions. In the crystal,...

The title complex, [Ni(2)(C(11)H(11)Br(2)N(2)O)(2)(NCS)(2)], is a thio-cyanate-bridged dinuclear nickel(II) complex. The asymmetric unit contains two molecules. Both Ni atoms in each molecule have a square-pyramidal coordination geometry, and each center is bound by one O and two N atoms of one Schiff base ligand and by one N atom of a bridging thio-cyanate ligand, which define the basal planes...