The centrosymmetric dinuclear Cu(II) complex, [Cu(2)Cl(4)(C(24)H(21)N(5)O(4))(2)], was synthesized by the reaction of CuCl(2)·2H(2)O with the tripodal ligand 2,2'-[3-(1H-imid-azol-4-ylmeth-yl)-3-aza-pentane-1,5-di-yl]diphthalimide (L). Each of the Cu(II) ions is coordinated by two N atoms from the ligand, two bridging Cl atoms and one terminal Cl atom. The Cu(II) coordination can be best be des...

In the title complex, [Mn(C(9)H(4)N(2)O(4))(H(2)O)(2)](n), the Mn(II) atom is in a distorted octa-hedral coordination completed by one N atom from one 1H-benzimidazole-5,6-dicarboxyl-ate ligand, two O atoms from two different 1H-benzimidazole-5,6-dicarboxyl-ate ligands, and three O atoms from three water mol-ecules. Two bridging water mol-ecules and two bridging carboxyl-ate groups from a 1H-be...

In the title binuclear complex, [Fe(2)(C(8)H(7)O(2))(4)(C(12)H(8)N(2))(2)(H(2)O)], the Fe(II) ion is six-coordinated by three carboxylate O atoms from three 4-methyl-benzoate ligands, two N atoms from two 1,10-phenanthroline ligands and one bridging aqua ligand in a distorted octa-hedral geometry. The coordinated water mol-ecule acting as the bridging ligand is located on a twofold axes and the...

The asymmetric unit of the centrosymmetric dinuclear title compound, [Cu(2)(C(8)H(7)O(3))(4)(C(6)H(6)N(2)O)(2)(H(2)O)(2)], contains one half of the complex mol-ecule. Each Cu(II) atom is five-coordinated by one N atom from one bridging nicotinamide ligand and one O atom from another symmetry-related bridging nicotinamide ligand, two O atoms from two 4-meth-oxy-benzoate ligands, and one water mo...

The protonation of N2 bound to the active center of nitrogenase has been investigated using state-of-the-art density-functional theory calculations. Dinitrogen in the bridging mode is activated by forming two bonds to Fe sites, which results in a reduction of the energy for the first hydrogen transfer by 123 kJ/mol. The axial binding mode with open sulfur bridge is less reactive by 30 kJ/mol an...

The design of inexpensive and less toxic porous coordination polymers (PCPs) that show selective adsorption or high adsorption capacity is a critical issue in research on applicable porous materials. Although use of Group II magnesium(II) and calcium(II) ions as building blocks could provide cheaper materials and lead to enhanced biocompatibility, examples of magnesium(II) and calcium(II) PCPs ...

The ability of a benzoquinonoid bridging ligand to mediate double-exchange coupling in a mixed-valence Fe2 complex is demonstrated. Metalation of the bridging ligand 2,5-di(2,6-dimethylanilino)-3,6-dibromo-1,4-benzoquinone (LH2) with Fe(II) in the presence of the capping ligand tris((6-methyl-2-pyridyl)methyl)amine (Me3TPyA) affords the dinuclear complex [(Me3TPyA)2Fe(II)2(L)](2+). The dc magne...

The trinuclear complexes [{(R2bipy)2Ru}3(mu3-HHTP)](PF6)3 [1(PF6)3, R = H; 2(PF6)3, R = 4-tBu] contain three {Ru(R2bipy)2}2+ fragments connected to the triangular tris-chelating ligand hexahydroxytriphenylene (H6HHTP). This bridging ligand contains three dioxolene-type binding sites, each of which can reversibly convert between dianionic catecholate (cat), monoanionic semiquinone (sq) or neutra...

In the mol-ecular structure of the dinuclear title compound [η(5)-(C5(CH3)5)(CO)Fe{(μ-BCl)(μ-CO)}PtCl(P(C6H11)3)]·C6H6, the two metal atoms, iron(II) and platinum(II), are bridged by one carbonyl (μ-CO) and one chlorido-borylene ligand (μ-BCl). The Pt(II) atom is additionally bound to a chloride ligand situated trans to the bridging borylene, and a tri-cyclo-hexyl-phosphane ligand (PCy3) trans ...