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Meso-[5,5,7,12,12,14-Hexamethyl-1,4,8,11-tetra-azacyclo-tetra-deca-1(14),7-diene]nickel(II) dibromide dihydrate.

ABSTRACT: The asymmetric unit of the title complex, [Ni(C(16)H(32)N(4))]Br(2)·2H(2)O, contains two [Ni(C(16)H(32)N(4))](2+) cations, four Br(-) anions and four uncoordinated H(2)O mol-ecules. The Ni atoms are in a slightly distorted square-planar coordination by the four macrocyclic N atoms, which are almost coplanar [N-N-N-N torsion angles of 2.97?(6) and 3.12?(7)°]. In the crystal, a network of N-H?Br, O-H?Br and N-H?O hydrogen bonds leads to the formation of a chain structure.

SUBMITTER: Shi F

PROVIDER: S-EPMC2979623 | biostudies-other | 2010

REPOSITORIES: biostudies-other

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meso-[5,5,7,12,12,14-Hexamethyl-1,4,8,11-tetra-azacyclo-tetra-deca-1(14),7-diene]nickel(II) dibromide dihydrate.

Shi Feifei F Chen Xiaodan X Rong Rong R Bao Qianqian Q

Acta crystallographica. Section E, Structure reports online 20100519 Pt 6

The asymmetric unit of the title complex, [Ni(C(16)H(32)N(4))]Br(2)·2H(2)O, contains two [Ni(C(16)H(32)N(4))](2+) cations, four Br(-) anions and four uncoordinated H(2)O mol-ecules. The Ni atoms are in a slightly distorted square-planar coordination by the four macrocyclic N atoms, which are almost coplanar [N-N-N-N torsion angles of 2.97 (6) and 3.12 (7)°]. In the crystal, a network of N-H⋯Br, O-H⋯Br and N-H⋯O hydrogen bonds leads to the formation of a chain structure. ...[more]

PMID: 21579309

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(meso-5,7,7,12,14,14-Hexamethyl-1,4,8,11-tetra-aza-cyclo-tetra-deca-4,11-diene)nickel(II) dibromide dihydrate.

Project description:The asymmetric unit of the title compound, [Ni(C(16)H(32)N(4))]Br(2)·2H(2)O, consists of one half [Ni(C(16)H(32)N(4))](2+) cation, one Br(-) anion and one water mol-ecule of crystallization. The Ni(II) ion lies on an inversion centre in a square-planar environment formed by the four macrocyclic ligand N atoms. In the crystal structure, the cations, anions and water mol-ecules are linked via inter-molecular N-H⋯Br and O-H⋯Br hydrogen bonds, forming discrete chains with set-graph motif D(2)D(2) (2)(7)D(2) (1)(3)D(3) (2)(8). The water mol-ecules and Br(-) ions are linked with set-graph motif R(4) (2)(8).

| S-EPMC2983119 | 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.

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(meso-5,7,7,12,14,14-Hexamethyl-1,4,8,11-tetra-azacyclo-tetra-deca-4,11-diene)nickel(II) bis-[O,O'-bis(4-methyl-phen-yl) dithio-phosphate].

Project description:In the title compound, [Ni(C(16)H(32)N(4))](C(14)H(14)O(2)PS(2))(2) or [Ni(trans[14]dien)][S(2)P(OC(6)H(4)Me-4)(2)](2), where trans[14]dien is meso-5,7,7,12,14,14-hexa-methyl-1,4,8,11-tetra-azacyclo-tetra-deca-4,11-diene, the Ni(II) ion lies across a centre of inversion and is four-coordinated in a relatively undistorted square-planar arrangement by the four N atoms of the macrocyclic ligand trans[14]dien. The two O,O'-di(4-methyl-phen-yl)dithio-phos-phates act as counter-ions to balance the charge. Important geometric data include Ni-N = 1.9135?(16) and 1.9364?(15)?Å.

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Project description:In the title compound, [Ni(SCN)(C(16)H(32)N(4))]ClO(4)·H(2)O, the Ni(II) ion is coordinated by the four N atoms of the tetra-azacyclo-tetra-deca-4,11-diene macrocyclic ligand and by the S atom of a thio-cyanate anion. The perchlorate anion is rotationally disordered around one Cl-O bond between two orientations; the occupancies refined to 0.61 (4) and 0.39 (4). Inter-molecular O-H⋯N, N-H⋯O and N-H⋯N hydrogen bonds link two cations, two anions and two solvent water mol-ecules into a centrosymmetric cluster. The crystal packing is further stabilized by weak inter-molecular C-H⋯O hydrogen bonds.

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(meso-5,5,7,12,12,14-Hexamethyl-1,4,8,11-tetra-aza-cyclo-tetra-deca-ne)nickel(II) bis-[O,O'-(1,2-phenyl-ene) dithio-phosphate].

Project description:In the crystal structure of the title compound, [Ni(C(16)H(36)N(4))](C(6)H(4)O(2)PS(2))(2), the Ni(II) cation is located on a center of inversion and is chelated by the folded tetra-amine macrocycle ligand in a slightly distorted NiN(4) square-planar geometry. Two symmetry-related O,O'-(1,2-phenyl-ene)dithio-phosphate anions are located on either side of the Ni(II) cation, with Ni⋯S of 3.9558 (5) Å, and link to the tetra-amine macrocycle ligand via N-H⋯S hydrogen bonding.

| S-EPMC3238782 | biostudies-literature

(meso-5,7,7,12,14,14-Hexamethyl-1,4,8,11-tetra-azacyclo-tetra-deca-4,11-diene)copper(II) bis-[O,O'-bis-(4-methyl-phen-yl) dithio-phosphate].

Project description:The title compound, [Cu(C(16)H(32)N(4))](C(14)H(14)O(2)PS(2))(2) or [Cu(trans[14]dien)][S(2)P(OC(6)H(4)Me-4)(2)](2), where trans[14]dien is meso-5,7,7,12,14,14-hexa-methyl-1,4,8,11-tetra-azacyclo-tetra-deca-4,11-diene, was obtained by the reaction of [Cu(trans[14]dien)](ClO(4))(2) and [(C(2)H(5))(2)NH](2) [S(2)P(OC(6)H(4)Me-4)(2)](2). The Cu(II) atom lies on a centre of inversion and possesses a relatively undistorted square-planar coordination arrangement with four N atoms of the macrocyclic tetra-mine trans[14]dien [Cu-N = 1.9716 (19) and 2.0075 (19) Å]. The two uncoordinated [(4-MeC(6)H(4)O)(2)PS(2)](-) groups act as counter-ions to balance the charge and inter-act with the [Cu(trans[14]dien)](2+ )complex cation through N-H⋯S hydrogen bonds.

| S-EPMC2983923 | biostudies-literature

(meso-5,5,7,12,12,14-Hexamethyl-1,4,8,11-tetra-aza-cyclo-tetra-deca-ne)nickel(II) bis-[O,O'-bis-(4-methyl-phen-yl) thio-phosphate].

Project description:In the centrosymmetric title complex, [Ni(C(16)H(36)N(4))](C(14)H(14)O(3)PS)(2), the Ni(II) ion is coordinated by four N atoms and two O atoms within a slightly distorted NiN(4)O(2) octa-hedral geometry. The asymmetric unit consits of one Ni(II) ion that is located on a center of inversion, half of the macrocylic ligand and one anion occupying general positions. Intra-molecular N-H?O and N-H?S hydrogen bonding is found between the macrocyclic ligand and the monothio-phosphate anion.

| S-EPMC3050336 | biostudies-literature

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