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Poly[bis[3,10-bis(2-hydroxyethyl)-1,3,5,8,10,12-hexa-azacyclo-tetra-deca-ne]tetra-μ-cyanido-tetracyanidodicopper(II)molybdenum(IV)] tetra-hydrate].

ABSTRACT: In the title complex, {[Cu(2)Mo(CN)(8)(C(12)H(30)N(6)O(2))(2)]·4H(2)O}(n), the polyhedron around Mo has site symmetry with a distorted square-antiprismatic shape, while the Cu atom (2 symmetry) is in a distorted axially elongated octa-hedral coordination environment. The uncoordinated water molecule is disordered over three sites with occupancies of 0.445 (7), 0.340 (7) and 0.215 (7). Mo and Cu atoms acting as basic components are connected by an Mo-CN-Cu-NC-Mo- linkage to form a distorted diamond-like network. Additional hydrogen bonding between the N-H groups and the water molecules stabilizes this arrangement.

SUBMITTER: Zhou H

PROVIDER: S-EPMC2959912 | biostudies-literature |

REPOSITORIES: biostudies-literature

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(meso-5,5,7,12,12,14-Hexamethyl-1,4,8,11-tetra-azacyclo-tetra-deca-ne)copper(II) bis-(O,S-dibenzyl dithio-phosphate).

Project description:In the crystal structure of the title compound, [Cu(C(16)H(36)N(4))](C(14)H(14)O(2)PS(2))(2), the Cu(II) atom is located on an inversion center and is chelated by four N atoms of the macrocyclic meso-5,5,7,12,12,14- hexa-methyl-1,4,8,11-tetra-azacyclo-tetra-decane ligand in a square-planar geometry, with Cu-N distances of 2.013 (3) and 2.014 (3) Å. In the crystal structure, one O,S-dibenzyl dithio-phosphate counter-anion links with the Cu(II) complex cation through N-H⋯O and N-H⋯S hydrogen bonding. During the synthesis, the structure of the anion re-arranged from O,O'-dibenzyl dithio-phosphate in the starting material to O,S-dibenzyl dithio-phosphate in the title compound.

| S-EPMC2969959 | biostudies-literature

(meso-5,5,7,12,12,14-Hexamethyl-1,4,8,11-tetra-azacyclo-tetra-deca-ne)nickel(II) bis-(O,O'-dibenzyl dithio-phosphate).

Project description:In the title salt-type 1:2 adduct, [Ni(C(16)H(36)N(4))](C(14)H(14)O(2)PS(2))(2) or [Ni(tet-a)][S(2)P(OCH(2)Ph)(2)](2), where tet-a is meso-5,5,7,12,12,14-hexa-methyl-1,4,8,11-tetra-azacyclo-tetra-decane, the [Ni(tet-a)](2+) complex cation exhibits a relatively undistorted square-planar geometry about the Ni atom, which lies on an inversion centre and is coordinated by four macrocyclic N atoms. The two O,O'-bis-(2-phenyl-meth-yl) dithio-phosphate anions act as counter-ions to balance the charge and they inter-act with the complex through N-H⋯S hydrogen bonds. Important geometric data include Ni-N distances of 1.958 (3) and 1.963 (3) Å.

| S-EPMC2961295 | biostudies-literature

trans-Dichlorido(1,4,8,11-tetra-azacyclo-tetra-deca-ne)manganese(III) tetra-fluorido-borate.

Project description:In the title manganese(III) complex, [MnCl(2)(C(10)H(24)N(4))]BF(4) or trans-[MnCl(2)(cyclam)]BF(4) (cyclam is the tetra-dentate amine ligand 1,4,8,11-tetra-azacyclo-tetra-deca-ne), the Mn(III) ions occupy the center of a distorted octa-hedron coordinated by all four ligand nitro-gen donors in the macrobicyclic cavity and two chloride ions occupy the axial positions. Intra-molecular hydrogen bonding involving the coordinated chloride ions and the hydrogen atoms of the cyclam ligand is observed. Inter-molecular hydrogen bonding involving the tetrafluoridoborate anion and hydrogen atoms of the cyclam ligand leads to an infinite one-dimensional chain along the a axis. The tetra-fluoridoborate and inorganic units are linked by N-H?F hydrogen bonds. The structure may be compared with those of analogous compounds [MnCl(2)(cyclam)]ClO(4) and [Mn(CN)(2)(cyclam)]ClO(4).

| S-EPMC2983670 | biostudies-literature

trans-(1,8-Dibenzyl-1,3,6,8,10,13-hexa-azacyclo-tetra-deca-ne)diisonicotinatonickel(II).

Project description:In the centrosymmetric title compound, [Ni(C(6)H(4)NO(2))(2)(C(22)H(34)N(6))], the Ni(II) ion is bonded to the four secondary N atoms of the macrocyclic ligand in a square-planar fashion and two carboxyl-ate O atoms of the isonicotinate ions in axial positions, resulting in a tetra-gonally distorted octa-hedron. An offset face-to-face π-π stacking inter-action [centroid-centroid distance = 3.674(4) Å] and N-H⋯N and N-H⋯O hydrogen-bonding inter-actions give rise to a one-dimensional supra-molecular structure in the solid state.

| S-EPMC2960468 | biostudies-literature

Di-?(2)-cyanido-dicyanidobis{2,2'-[ethane-1,2-diylbis(nitrilo-methyl-idyne)]diphenolato}(1,4,8,11-tetra-azacyclo-tetra-deca-ne)dichromium(III)nickel(II) methanol disolvate.

Project description:In the title compound, [Cr(2)Ni(C(16)H(14)N(2)O(2))(2)(CN)(4)(C(10)H(24)N(4))]·2CH(3)OH, each [Cr(salen)(CN)(2)] unit {salen is 2,2'-[ethane-1,2-diylbis(nitrilo-methyl-idyne)]diphenolate} acts as a monodentate ligand through one of its two cyanide groups N bound to a central [Ni(cyclam)](2+) core (cyclam is 1,4,8,11-tetra-azacyclo-tetra-deca-ne). Each Cr(III) ion is coordinated by two N and two O atoms from a salen ligand situated in the equatorial plane with two trans cyanide C atoms, yielding a distorted octa-hedral coordination geometry. The Ni(II) atom lies on an inversion center and is octa-hedrally coordinated by a cyclam ligand lying in the equatorial plane and by two cyanide N atoms. The asymmetric unit contains one half of the complex mol-ecule and a methanol solvent mol-ecule. In the crystal structure, the complex mol-ecule is linked to the methanol solvent mol-ecules via O-H?O and N-H?O hydrogen bonds. Individual complex mol-ecules are linked by C-H?N hydrogen bonds, forming chains along b.

| S-EPMC2979610 | biostudies-literature

trans-{1,8-Bis[(R)-?-methyl-benz-yl]-1,3,6,8,10,13-hexa-azacyclo-tetra-deca-ne}dithio-cyanato-nickel(II).

Project description:The title compound, [Ni(NCS)(2)(C(24)H(38)N(6))], is a thio-cyanate-coordinated aza-macrocyclic nickel(II) complex. There are two independent mol-ecules in the asymmetric unit and their bond lengths and angles are similar. Both Ni atoms have a tetra-gonally distorted octa-hedral geometry, in which the Ni(II) ion is coordinated by the four secondary N atoms of the aza-macrocyclic ligand and by two N atoms of the thio-cyanate ions. The average equatorial Ni-N bond lengths are shorter than the average axial Ni-N bond lengths [2.071?(1) and 2.115?(2)?Å, respectively]. N-H?S hydrogen-bonding inter-actions between a secondary amine N atom and the adjacent thio-cyanate ion leads to a polymeric chain along [100].

| S-EPMC2968297 | biostudies-literature

Diaqua-(5,5,7,12,12,14-hexa-methyl-1,4,8,11-tetra-azacyclo-tetra-deca-ne)nickel(II) tetra-cyanidonickelate(II).

Project description:In the title complex, [Ni(C(16)H(36)N(4))(H(2)O)(2)][Ni(CN)(4)], the [Ni(teta)(H(2)O)(2)](2+) cations (teta = 5,5,7,12,12,14-hexa-methyl-1,4,8,11-tetra-azacyclo-tetra-deca-ne) and [Ni(CN)(4)](2-) anions are arranged in an alternating fashion through electrostatic and N-H?N and O-H?N hydrogen-bonding inter-actions, forming a two-dimensional layered structure. Adjacent layers are linked through weak van der Waals inter-actions, resulting in a three-dimensional supra-molecular network.

| S-EPMC2970059 | biostudies-literature

trans-Diazido-(1,8-dibenzyl-1,3,6,8,10,13-hexa-azacyclo-tetra-deca-ne)nickel(II).

Project description:In the centrosymmetric title compound, [Ni(N(3))(2)(C(22)H(34)N(6))], the Ni(II) ion is coordinated by the four secondary N atoms of the macrocyclic ligand in a square-planar fashion with two N atoms of the azide ions in axial positions, resulting in a tetra-gonally distorted octa-hedron. An N-H⋯N hydrogen-bonding inter-action between the secondary amine N atom of the macrocycle and an adjacent azide ion gives rise to a chain structure.

| S-EPMC2961652 | biostudies-literature

Diaqua-(1,4,8,11-tetra-aza-cyclo-tetra-deca-ne)nickel(II) fumarate tetra-hydrate.

Project description:The asymmetric unit of the title complex salt, [Ni(C(10)H(24)N(4))(H(2)O)(2)](C(4)H(2)O(4))·4H(2)O, comprises half of a nickel(II) complex dication, half of a fumarate dianion and two water mol-ecules. Both the Ni(II) cation and fumarate anion lie on a crystallographic inversion center. The Ni(II) ion in the cyclam complex is six-coordinated within a distorted N(4)O(2) octa-hedral geometry, with the four cyclam N atoms in the equatorial plane and the two water mol-ecules in apical positions. The six-membered metalla ring adopts a chair conformation, whereas the five-membered ring exists in a twisted form. In the crystal packing, inter-molecular O-H⋯O hydrogen bonds between the water molecules and the carboxyl groups of the fumarate anions lead to the formation of layers with R(4) (2)(8) ring motifs. Ni(II) complex cations are sandwiched between two such layers, being held in place by O-H⋯O, N-H⋯O and C-H⋯O hydrogen bonds, consolidating a three-dimensional network.

| S-EPMC3007087 | biostudies-literature

Crystal structure of [3,10-bis-(4-fluoro-pheneth-yl)-1,3,5,8,10,12-hexa-aza-cyclo-tetra-deca-ne]nickel(II) diperchlorate.

Project description:The square-planar nickel(II) title complex, [Ni(C24H36F2N6)](ClO4)2 or [NiL](ClO4)2 (L = 3,10-bis-(4-fluoro-pheneth-yl)-1,3,5,8,10,12-hexa-aza-cyclo-tetra-deca-ne) was synthesized by a one-pot reaction of template condensation and its X-ray crystal structure was determined. The nickel(II) ion lies close by a twofold axis and the complex displays whole-mol-ecule disorder. Ligand L, a hexa-aza-cyclo-tetra-decane ring having 4-fluoro-phenethyl side chains attached to uncoordinated nitro-gen atoms, adopts a trans III (R,R,S,S) configuration. The average Ni-N bond distance is 1.934 (9) Å, which is quite similar to those of other nickel(II) complexes with similar ligands. The nickel(II) ion is located 0.051 (7) Å above the least-squares plane through the four coordinated N atoms. The average C-N bond distance and C-N-C angle involving uncoordinated nitro-gen atoms are 1.425 (12) Å and 118.0 (9)°, respectively, indicating a significant contribution of sp 2 hybridization for these N atoms. The inter-molecular N-H⋯O, C-H⋯O/F hydrogen bonds of the complex form a network structure, which looks like a seamless floral lace pattern.

| S-EPMC7869553 | biostudies-literature

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