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The crystal structure of the new double CuII complex salt, [Cu(L)(H2O)2][Cu(L)]Br4·2H2O (L = 3,14-diethyl-2,6,13,17-tetra­aza­tri­cyclo­[16.4.0.07,12]docosane, C22H44N4) has been determined using synchrotron radiation. The asymmetric unit contains one half of a [Cu(L)(H2O)2]2+ cation, one half of a [Cu(L)]2+ cation (both completed by crystallographic inversion symmetry), two bromide anions and one water solvent mol­ecule. The CuII atom in the first complex exists in a tetra­gonally distorted octa­hedral environment with the four N atoms of the macrocyclic ligand in equatorial and two aqua ligands in axial positions, whereas the CuII atom in the second complex exists in a square-planar environment defined by the four nitro­gen atoms of the macrocyclic ligand. The two macrocyclic rings adopt the most stable trans-III configuration with normal Cu—N bond lengths from 2.016 (3) to 2.055 (3) Å and an axial Cu—O bond length of 2.658 (4) Å. The crystal structure is stabilized by inter­molecular hydrogen bonds involving the macrocycle N—H or C—H groups and the O—H groups of water mol­ecules as donor groups, and the O atoms of water mol­ecules and bromide anions as acceptor groups, giving rise to a one-dimensional network extending parallel to [100]. [ABSTRACT FROM AUTHOR]

The crystal structure of the novel hydrated CuII salt, [Cu(L)(H2O)2]Cl2·4H2O (L = 3,14-diethyl-2,6,13,17-tetra­aza­tri­cyclo­[16.4.0.07,12]docosane, C22H44N4) has been determined using synchrotron radiation. The asymmetric unit contains one half of the [Cu(L)(H2O)2]2+ cation (completed by crystallographic inversion symmetry), one chloride anion and two lattice water mol­ecules. The copper(II) atom exists in a tetra­gonally distorted octa­hedral environment with the four N atoms of the macrocyclic ligand in equatorial and two O atoms from water mol­ecules in axial positions. The latter exhibit a long axial Cu—O bond length of 2.7866 (16) Å due to the Jahn–Teller distortion. The macrocyclic ring adopts a stable trans-III conformation with typical Cu—N bond lengths of 2.0240 (11) and 2.0441 (3) Å. The complex is stabilized by hydrogen bonds formed between the O atoms of coordinated water mol­ecules and the NH groups as donors, and chloride anions as acceptors. The chloride anions are further connected to the lattice water solvent molecules through O—H⋯Cl hydrogen bonds, giving rise to a three-dimensional network structure. [ABSTRACT FROM AUTHOR]

The crystal structure of the title complex, cis-[Cr(NCS)2(cyclam)]Br (cyclam = 1,4,8,11-tetraazacyclotetradecane, C10H24N4), has been determined from synchrotron X-ray data. The asymmetric unit contains one [Cr(NCS)2(cyclam)]+ cation and one bromide anion. The CrIII ion of the complex cation is coordinated by the four N atoms of the cyclam ligand and by two N-coordinating NCS groups in a cis arrangement, displaying a distorted octahedral coordination sphere. The Cr--N(cyclam) bond lengths are in the range 2.075 (3) to 2.081 (3) Å while the average Cr--N(NCS) bond length is 1.996 (16) Å. The macrocyclic cyclam moiety adopts the most stable cis-V conformation. The crystal structure is stabilized by intermolecular hydrogen bonds involving the cyclam N--H groups as donor groups, and the bromide anion and the S atom of one of the NCS ligands as acceptor groups. [ABSTRACT FROM AUTHOR]

The crystal structure of the title salt, C20H44N4 4+4Cr-4H2O, has been determined using synchrotron radiation at 220 K. The structure determination reveals that protonation has occurred at all four amine N atoms. The asymmetric unit contains one half-cation (completed by crystallographic inversion symmetry), two chloride anions and two water molecules. There are two molecules in the unit cell. The Cl- anions and hydrate molecules are involved in hydrogen bonding. The crystal structure is stabilized by intermolecular hydrogen bonds involving the macrocycle N--H groups and water O--H groups as donors and the O atoms of the water molecules and the Cl- anions as acceptors, giving rise to a three-dimensional network. [ABSTRACT FROM AUTHOR]

The asymmetric unit of the title compound, [Ag(C24H46N6O2)](NO3)2 [C24H46N6O2 is (5,16-dimethyl-2,6,13,17-tetra­aza­tri­cyclo­[16.4.0.07,12]docosane-2,13-di­yl)diacetamide, L], consists of one independent half of the [Ag(C24H46N6O2)]2+ cation and one nitrate anion. The Ag atom, lying on an inversion centre, has a square-planar geometry and the complex adopts a stable trans-III conformation. Inter­estingly, the two O atoms of the pendant acetamide groups are not coordinated to the AgII ion. The longer distance of 2.227 (2) Å for Ag—N(tertiary) compared to 2.134 (2) Å for Ag—N(secondary) may be due to the effects of the attached acetamide group on the tertiary N atom. Two nitrate anions are very weakly bound to the AgII ion in the axial sites and are further connected to the ligand of the cation by N—H⋯O hydrogen bonds. The crystal packing is stabilized by hydrogen-bonding inter­actions among the N—H donor groups of the macrocycle and its actetamide substituents, and the O atoms of the nitrate anions and of an acetamide group as the acceptor atoms. [ABSTRACT FROM AUTHOR]

A novel metal complex, [Cu(Lb)](NO3)2 [Lb = 2,13-dibenzyl-5,16-diethyl-2,6,13,17-tetraazatricyclo(16.4.0.07,12)docosane], was synthesized and characterized by single-crystal X-ray diffraction as well as other spectroscopic techniques. Structural analysis revealed that the copper(II) ion has an approximately square planar arrangement with stable trans -III configuration of the macrocyclic ligand. The Cu-N(tertiary) distance (2.0860 (14) Å) is greater than the Cu-N(secondary) distance (2.0229 (15) Å), which may be attributed to the steric effect of the benzyl group attached to the tertiary N atom. The nitrate anion and complex cation are linked by hydrogen bonds and weak Cu...O interactions. The metal complex showed strong blue luminescence when excited in the 355-391 nm region, and both blue as well as green emissions when excited in the 438-460 nm range. [ABSTRACT FROM AUTHOR]

Abstract  In the title compound, [Cu(C34H52N4)](ClO4)2, the Cu(II) ion has a square-planar coordination somewhat distorted towards tetrahedral geometry. The macrocyclic ligand adopts a less stable trans-I (RSRS) configuration. The two benzyl groups and two secondary amine H atoms are oriented towards the same side of the macrocyclic plane. The two six-membered rings are in slightly distorted chair and unsymmetrical twist-boat forms while both five-membered chelate rings are in the gauche conformation. The longer distances (2.050(4) and 2.035(4) Å) of Cu–N(tertiary) compared to 2.017(4) and 1.990(4) Å for Cu–N(secondary) may be due to the steric effects of the attached two benzyl groups on the tertiary N atoms. The crystal structure is stabilized by hydrogen bonds between secondary NH groups and O atoms of perchlorate counter-ions. Graphical Abstract  In the title compound, [Cu(C34H52N4)](ClO4)2, the Cu(II) ion has a square-planar coordination somewhat distorted towards tetrahedral geometry. The macrocyclic ligand adopts a trans-I configuration. The benzyl groups and secondary amine H atoms are oriented towards the same side of the macrocyclic plane. [ABSTRACT FROM AUTHOR]