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μ-Cyanido-1:2κN:C-tricyanido-2κC-(rac-5,5,7,12,12,14-hexa-methyl-1,4,8,11-tetra-aza-cyclo-tetra-decane-1κN,N',N'',N''')dinickel(II) N,N-di-methyl-formamide monosolvate hemi-hydrate.

ABSTRACT: The two Ni(II) atoms in the title complex, [Ni(2)(CN)(4)(C(16)H(36)N(4))]·C(3)H(7)NO·0.5H(2)O, are bridged by a cyanide ion. The macrocycle folds around one Ni(II) atom, which is five-coordinated in an NiN(5) square-pyramidal geometry. The other Ni(II) atom is surrounded by the cyanide ions in an NiN(4) square-planar geometry. The dimethyl-formamide solvent mol-ecule is disordered over two positions in a 0.62 (1):0.38 (1) ratio and the water mol-ecule is disordered about a center of inversion. The dinuclear mol-ecule and solvent mol-ecules are linked by N-H⋯O, N-H⋯N and O-H⋯O hydrogen bonds, forming a three-dimensional network.

SUBMITTER: Jiang HM

PROVIDER: S-EPMC3008996 | biostudies-literature |

REPOSITORIES: biostudies-literature

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Bis(5,5,7,12,12,14-hexa-methyl-1,4,8,11-tetra-azacyclo-tetra-decane-?N)(?-l-mal-ato-?O,O:O,O)dinickel(II) bis(perchlorate) monohydrate.

Project description:In the crystal structure of the title dinuclear compound, [Ni(2)(C(4)H(4)O(5))(C(16)H(36)N(4))(2)](ClO(4))(2)·H(2)O, the bridg-ing di-car-box-yl-ate dianion O,O'-chelates to two Ni atoms, both of which are also chelated by the N-macrocylic ligand. The Ni atoms exhibit a distorted octa-hedral coordination. N-H?O and O-H?O hydrogen bonds link the cations and the uncoordinated water mol-ecules into a layer structure; the perchlorate anions occupy the space between adjacent layers, and are only weakly linked to the layers. One of the perchlorate anions is disordered over two sets of sites in a 3:2 ratio.

| S-EPMC2969409 | biostudies-literature

Di-?-cyanido-tetra-cyanido(5,5,7,12,12,14-hexa-methyl-1,4,8,11-tetra-aza-cyclo-tetra-decane)[N-(quinolin-8-yl)quinoline-2-carboxamidato]diiron(III)nickel(II) 2.07-hydrate.

Project description:The asymmetric unit of the title complex, [Fe2Ni(C19H12N3O)2(CN)6(C16H36N4)]·2.07H2O, contains one [Fe(qcq)(CN)3](-) anion, half a [Ni(teta)](2+) cation and two partially occupied inter-stitial water mol-ecules [qcq(-) is the N-(quinolin-8-yl)quinoline-2-carboxamidate anion and teta is 5,5,7,12,12,14-hexa-methyl-1,4,8,11-tetra-aza-cyclo-tetra-deca-ne]. In the complex mol-ecule, two [Fe(qcq)(CN)3](-) anions additionally coordinate the central [Ni(teta)](2+) cation through cyanide groups in a trans mode, resulting in a trinuclear structure with the Ni(2+) cation lying on an inversion centre. The two inter-stitial water mol-ecules are partially occupied, with occupancy factors of 0.528?(10) and 0.506?(9). O-H?O and O-H?N hydrogen bonding involving the two lattice water molecules and the carbonyl function and a teta N atom in an adjacent cluster leads to the formation of layers extending parallel to (010).

| S-EPMC3647811 | biostudies-other

1,4,8,11-Tetra-kis(carboxy-meth-yl)-5,5,7,12,12,14-hexa-methyl-4,11-diaza-1,8-diazo-niacyclo-tetra-decane dichloride dihydrate.

Project description:The title compound, C(24)H(46)N(4)O(8) (2+)·2Cl(-)·2H(2)O, was synthes-ized by the hydrolysis of tetra-ethyl 2,2',2'',2'''-(5,5,7,12,12,14-hexa-methyl-1,4,8,11-tetra-azacyclo-tetra-decane-1,4,8,11-tetra-yl) tetra-acetate in hydro-chloric acid solution. The crystal structure of the title compound consists of a 14-membered C(10)N(4) centrosymmetric cationic macrocycle which inter-acts with the chloride ions and water mol-ecules of crystallization to give a three-dimensional hydrogen-bonded network.

| S-EPMC2961112 | biostudies-literature

(Benzoato-κO,O')(5,5,7,12,12,14-hexa-methyl-1,4,8,11-tetra-azacyclo-tetra-decane-κN,N',N'',N''')nickel(II) perchlorate monohydrate.

Project description:The Ni atom in the title salt, [Ni(C(7)H(5)O(2))(C(16)H(36)N(4))]ClO(4)·H(2)O, is in a six-coordinate octa-hedral geometry. The metal atom is chelated by the carboxyl-ate group, and the macrocyclic ligand adopts a folded configuration. The cation, anion and water mol-ecules engage in hydrogen bonding to form a layer structure.

| S-EPMC2961933 | biostudies-literature

catena-Poly[[[(5,5,7,12,12,14-hexa-methyl-1,4,8,11-tetra-aza-cyclo-tetra-decane-?(4)N)nickel(II)]-?-oxido-[dioxidotungstate(VI)]-?-oxido] tetra-hydrate].

Project description:In the title compound, {[NiWO(4)(C(16)H(36)N(4))]·4H(2)O}(n), the Ni(II) ion lies on an inversion center and is octahedrally coordinated by four N atoms of the tetradentate macrocyclic 5,5,7,12,12,14-hexa-methyl-1,4,8,11-tetra-aza-cyclo-tetra-decane (L) ligand in the equatorial plane and two O atoms of [WO(4)](2-) anions in axial positions. Each [WO(4)](2-) anion bridges two adjacent [NiL](2+) cations, forming a chain along [001]. The chains are further connected via N-H?O, O-H?O and C-H?O hydrogen-bonding inter-actions, generating a three-dimensional structure.

| S-EPMC3435596 | biostudies-literature

cis-[(7R,14R)-5,5,7,12,12,14-Hexa-methyl-1,4,8,11-tetra-azacyclo-tetra-decane-?N](oxalato-?O,O')nickel(II) oxalic acid solvate.

Project description:Both mol-ecules of the title compound, [Ni(C(2)O(4))(C(16)H(36)N(4))]·C(2)H(2)O(4), are located on a crystallographic twofold rotation axis. The Ni(II) atom shows a distorted octa-hedral geometry. The crystal packing is stabilized by N-H?O and O-H?O hydrogen bonds.

| S-EPMC2969325 | biostudies-literature

3,3'-(5,5,7,12,12,14-Hexa-methyl-1,4,8,11-tetra-azacyclo-tetra-decane-1,8-diyl)di-propanonitrile methanol disolvate.

Project description:The asymmetric unit of the title compound, C(22)H(42)N(6)·2CH(4)O, comprises one half of a 14-membered tetra-azacyclo-tetra-decane macrocycle with cyano-ethyl substituents on one of the N atoms and a methanol solvent mol-ecule. The macrocycle lies about an inversion centre. The cyano-ethyl substituents are oriented so that the cyano groups lie over opposite faces of the central cavity of the macrocycle. The methanol solvate mol-ecules lie away from the cavity of the macrocycle and are linked to the macrocycles via O-H?N hydrogen bonds.

| S-EPMC2979179 | biostudies-other

(Benzoato-κO,O')(5,5,7,12,12,14-hexa-methyl-1,4,8,11-tetra-azacyclo-tetra-decane-κN,N',N'',N''')nickel(II) perchlorate benzoic acid solvate.

Project description:In the title compound, [Ni(C(7)H(5)O(2))(C(16)H(36)N(4))]ClO(4)·C(7)H(6)O(2), the Ni atom displays a distorted octa-hedral coordination geometry with four N atoms of the ligand rac-5,5,7,12,12,14-hexa-methyl-1,4,8,11-tetra-azacyclo-tetra-decane (L) in a folded configuration and two benzoate (bz) O atoms. The [Ni(rac-L)(bz)](+) complex cation, perchlorate anion and benzoic acid mol-ecules engage in hydrogen bonding, with N⋯O distances between 2.970 (3) and 3.123 (3) Å and an O⋯O distance of 2.691 (3) Å.

| S-EPMC2960142 | biostudies-literature

(Cinnamato-?(2)O,O')(5,5,7,12,12,14-hexa-methyl-1,4,8,11-tetra-aza-cyclo-tetra-decane-?(4)N,N',N'',N''')nickel(II) perchlorate monohydrate.

Project description:In the title compound, [Ni(C(9)H(7)O(2))(C(16)H(36)N(4))]ClO(4)·H(2)O, the macrocyclic 5,5,7,12,12,14-hexa-methyl-1,4,8,11-tetra-aza-cyclo-tetra-decane ligand (L) folds around the Ni(II) atom, which is also chelated by the carboxyl-ate group. The geometry is a distorted N(4)O(2) octa-hedron. In the crystal, adjacent mol-ecules are connected by O-H?O and N-H?O hydrogen bonds into a zigzag chain parallel to [010].

| S-EPMC3414150 | biostudies-literature

[4-Carboxy-imidazole-5-carboxyl-ato(2-)-?N,O](5,5,7,12,12,14-hexa-methyl-1,4,8,11-tetra-azacyclo-tetra-decane-?N,N',N'',N''')nickel(II) monohydrate.

Project description:The 4-carboxy-imidazole-5-carboxyl-ate(2-) dianion in the title compound, [Ni(C(5)H(2)N(2)O(4))(C(16)H(36)N(4))]·H(2)O, N,O'-chelates to the Ni(II) atom, which shows an octa-hedral coordination. The macrocycle folds itself around the metal atom and binds to it through four secondary nitrogen atoms; adjacent molecules are linked by N-H?O hydrogen bonds into a linear chain. The water molecule is disordered over two positions.

| S-EPMC2972002 | biostudies-literature

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