Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Triaqua-(1,4,7-triaza-cyclo-nonane-?N,N,N)nickel(II) bromide nitrate.

ABSTRACT: In the title half-sandwich compound, [Ni(C(6)H(15)N(3))(H(2)O)(3)]Br(NO(3)), the central Ni(II) ion, lying on a threefold rotation axis, is six-coordinated by three amine N atoms from the face-capping triaza macrocycle and three water O atoms in a slightly distorted octa-hedral geometry. In the crystal, O-H?O hydrogen bonding and weak O-H?Br inter-actions associate the Ni(II) cations and the counter-ions into a three-dimensional supra-molecular network.

SUBMITTER: Wen C

PROVIDER: S-EPMC2979567 | biostudies-literature | 2010 May

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Triaqua-(1,4,7-triaza-cyclo-nonane-κN,N,N)nickel(II) bromide nitrate.

Wen Changchun C Lu Jianqi J Zhang Zhong Z

Acta crystallographica. Section E, Structure reports online 20100508 Pt 6

In the title half-sandwich compound, [Ni(C(6)H(15)N(3))(H(2)O)(3)]Br(NO(3)), the central Ni(II) ion, lying on a threefold rotation axis, is six-coordinated by three amine N atoms from the face-capping triaza macrocycle and three water O atoms in a slightly distorted octa-hedral geometry. In the crystal, O-H⋯O hydrogen bonding and weak O-H⋯Br inter-actions associate the Ni(II) cations and the counter-ions into a three-dimensional supra-molecular network. ...[more]

PMID: 21579281

Similar Datasets

Dichlorido(dimethyl-formamide-κO)[1,4,7-tris-(2-cyano-ethyl)-1,4,7-triaza-cyclo-nonane-κN,N,N]nickel(II).

Project description:The title complex, [NiCl(2)(C(15)H(24)N(6))(C(3)H(7)NO)], is isomorphous with the Co(II) analogue. Three N-atom donors from the facially coordinating triaza macrocyclic ligand, one O-atom donor from dimethyl-formamide and two Cl(-) anions surround the Ni(II) ion in a distorted octa-hedral coordination geometry. Inter-molecular C-H⋯Cl and C-H⋯N hydrogen-bonding inter-actions link the complex mol-ecules into a three-dimensional supra-molecular architecture.

| S-EPMC2960500 | biostudies-literature

Dichlorido(dimethyl-formamide-κO)[1,4,7-tris-(2-cyano-ethyl)-1,4,7-triaza-cyclo-nonane-κN,N,N]cobalt(II).

Project description:The title compound, [CoCl(2)(C(15)H(24)N(6))(C(3)H(7)NO)], crystallizes as a monomeric complex. The coordination environment around the Co(II) center could be described as a distorted octa-hedron consisting of three N donors from the facially coordinating triaza macrocyclic ligand, one O donor from dimethyl-formamide and two Cl(-) ions. Neutral complex mol-ecules are associated via inter-molecular C-H⋯Cl hydrogen bonds to form two-dimensional layers. C-H⋯O hydrogen bonds are also present.

| S-EPMC2961961 | biostudies-literature

Tris(propionitrile-κN)[1,4,7-tris-(cyano-meth-yl)-1,4,7-triaza-cyclo-nonane-κN,N,N]copper(II) bis-(perchlorate) dihydrate.

Project description:In the title compound, [Cu(C(3)H(5)N)(3)(C(12)H(18)N(6))](ClO(4))(2)·2H(2)O, the Cu(II) atom lies on a threefold rotation axis and is coordinated in a distorted N(6) octa-hedral environment by three tertiary amines from the tridentate chelating aza-macrocyclic ligand and three propionitrile mol-ecules. Inter-molecular non-classical C-H⋯N hydrogen bonding inter-links the [Cu(C(3)H(5)N)(3)(C(12)H(18)N(6))](2+) cations into a two-dimensional supra-molecular sheet extending along the ab plane. The crystal packing also exhibits weak C-H⋯O inter-actions.

| S-EPMC2979962 | biostudies-literature

(2,2'-Bipyridine-?N,N')chlorido(1,4,7-trithia-cyclo-nonane-?S,S',S'')ruthenium(II) nitrate monohydrate.

Project description:In the title compound, [RuCl(C(10)H(8)N(2))(C(6)H(12)S(3))]NO(3)·H(2)O or [RuCl(bpy)([9]aneS(3))]NO(3)·H(2)O, ([9]aneS(3) is 1,4,7-tri-thia-cyclo-nonane and bpy is 2,2'-bipyridine), the Ru(II) cation has a slightly distorted octa-hedral environment composed of three facially coordinated S atoms from ([9]aneS(3)), two N atoms from bpy and a chloride anion. The nitrate counter-ion and the water mol-ecule of crystallization are engaged in O-H?O hydrogen-bonding inter-actions, leading to a supra-molecular chain running parallel to the c axis.

| S-EPMC3011741 | biostudies-literature

Discrete water clusters in tetra-μ-cyanido-tetra-cyanidobis(1,4,7-triisopropyl-1,4,7-triaza-cyclo-nona-ne)dicopper(II)dinickel(II) tetra-hydrate.

Project description:The title tetra-cyanido-nickelate-copper complex, [Cu₂Ni₂(CN)₈(C₁₅H₃₃N₃)₂]·4H₂O, was synthesized by self-assembly using potassium tetracyanidonickelate(II) and dichlorido(1,4,7-triisopropyl-1,4,7-triazacyclononane)copper(II). The asymmetric unit contains half of a complex mol-ecule and two water mol-ecules. The entire complex has -1 symmetry and contains Ni(II) in a slightly distorted square-planar and Cu(II) in a square-pyramidal coordination environment. The crystal packing shows a discrete tetra-mer water cluster. Within the cluster, the four water mol-ecules are fully coplanar and each water monomer acts both as single O-H⋯O and O-H⋯N hydrogen-bond donor and acceptor.

| S-EPMC3393158 | biostudies-literature

(2,2'-Bipyridine-κN,N')bromido(1,4,7-trithia-cyclo-nonane-κS,S',S'')ruthenium(II) hexa-fluoridophosphate.

Project description:The title compound, [RuBr(C(10)H(8)N(2))(C(6)H(12)S(3))]PF(6) or [RuBr(bpy)([9]aneS(3))]PF(6) ([9]aneS(3) is 1,4,7-trithia-cyclo-nonane and bpy is 2,2'-bipyridine), exhibits a very similar octahedral coordination geometry for the Ru(2+) atom to that of its [RuCl(bpy)([9]aneS(3))](+) analogue, with only the chloride ligand being substituted by a bromide ligand. The presence of a PF(6) (-) anion (alongside with the coordinated bromide ligand) promotes the existence of an extensive network of weak C-H⋯X (X = F, Br) inter-actions.

| S-EPMC3051521 | biostudies-literature

Bis(1,4,7-trithia-cyclo-nona-ne)nickel(II) bis-(tetra-fluorido-borate) nitro-methane disolvate.

Project description:The homoleptic thio-ether title complex, [Ni(C(6)H(12)S(3))(2)](BF(4))(2)·2CH(3)NO(2), shows the expeced hexa-kis-(thio-ether) octa-hedral environment around the Ni(II) atom. It crystallized as two crystallographically independent complex cations, [Ni(9S3)(2)](2+) (9S3 = 1,4,7-trithia-cyclo-nona-ne), within the unit cell where each Ni(II) lies on an inversion center. In addition to the complex cations, there are two crystallographically independent BF(4) (-) anions present to balance the charge, and each shows disorder along a pseudo-C(3) axis with ratios of 0.53?(2):0.47?(2) and 0.55?(2):0.45?(2). Two nitro-methane solvent mol-ecules per complex cation are also present in the unit cell.

| S-EPMC3201448 | biostudies-other

4,7-Diaza-1-azoniacyclo-nonane bromide.

Project description:The title compound, C(6)H(16)N(3) (+)·Br(-), is the bromide of the monoprotonated aza-macrocyclic triamine 1,4,7-triaza-cyclo-nonane (tacn). The threefold axis of the triamine is broken by the protonation of one of the three amine functions. The ammonium proton is bonded in an intra-molecular symmetrically bifurcated hydrogen bond to the two endodentate amine functions. Direct cation-anion contacts are established via N-H?Br hydrogen bonds between the bromide anions and tacnH(+) cations.

| S-EPMC2977258 | biostudies-literature

Hexakis(1H-imidazole-?N)nickel(II) triaqua-tris(1H-imidazole-?N)nickel(II) bis-(naphthalene-1,4-dicarboxyl-ate).

Project description:The crystal structure of the title compound, [Ni(C(3)H(4)N(2))(6)][Ni(C(3)H(4)N(2))(3)(H(2)O)(3)](C(12)H(6)O(4))(2), contains uncoordinated naphthalene-dicarboxyl-ate dianions and two kinds of Ni(II) complex cations, both assuming distorted octa-hedral geometries. One Ni(II) ion is located on an inversion center and is coordinated by six imidazole mol-ecules, while the other Ni(II) ion is located on a twofold rotation axis and is coordinated by three water mol-ecules and three imidazole mol-ecules in a mer-NiN(3)O(3) arrangement. The naphthalene-dicarboxyl-ate dianion links both Ni(II) complex cations via O-H?O and N-H?O hydrogen bonding, but no ?-? stacking is observed between aromatic rings in the crystal structure. One imidazole ligand is equally disordered over two sites about a twofold rotation axis; one N atom and one water O atom have site symmetry 2.

| S-EPMC2960677 | biostudies-literature

catena-Poly[[triaqua-(pyridine-κN)nickel(II)]-μ-sulfato-κO:O'].

Project description:The title compound, [Ni(SO(4))(C(5)H(5)N)(H(2)O)(3)](n), was synthesized by the hydro-thermal reaction of NiSO(4)·6H(2)O, pyridine and water. The central Ni(II) atom is coordinated in a distorted octa-hedral environment by a pyridine N atom, three aqua O atoms and two O atoms of bridging sulfate anions, yielding a zigzag chain. A three-dimensional network is generated via complex hydrogen bonds involving the sulfate and aqua ligands and a pyridine C-H group.

| S-EPMC2971987 | biostudies-literature

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

Tweets

OmicsDI Databases

PRIDE
PeptideAtlas
MassIVE
JPOST Repository
Physiome Model Repository

EGA
EVA
ENA
LINCS
PAXDB
Cell Collective

MetaboLights
Metabolomics Workbench
MetabolomeExpress
GNPS
BioModels
FAIRDOMHub

ArrayExpress
dbGaP
ExpressionAtlas
GEO
NODE

Information

Databases
Help
API
Contact us
Code on GitHub
Terms of use
Submit Data