Browse
Submit Data
Databases
API
Help

Dataset Information

18 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Crystal structure of di-?2-chlorido-bis-[(1-aza-4-azoniabi-cyclo-[2.2.2]octane-?N (1))di-chlorido-dicadmium].

ABSTRACT: In the structure of the binuclear title compound, [Cd2(C6H13N2)2Cl6], two Cd(II) atoms are bridged by two Cl(-) ligands, defining a centrosymmetric Cd2Cl2 motif. Each metal cation is additionally coordinated by two Cl(-) ligands and the N atom of a protonated 1,4-di-aza-bicyclo-[2.2.2]octane (H-DABCO)(+) ligand, leading to an overall trigonal-bipyramidal coordination environment with one of the bridging Cl(-) ligands and the N atom at the apical sites. In the crystal, the neutral dimers are linked via N-H?Cl hydrogen bonds, forming a two-dimensional network expanding parallel to (100).

SUBMITTER: Yan JJ

PROVIDER: S-EPMC4719863 | biostudies-literature | 2015 Dec

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Crystal structure of di-μ2-chlorido-bis-[(1-aza-4-azoniabi-cyclo-[2.2.2]octane-κN (1))di-chlorido-dicadmium].

Yan Jing-Jing JJ Pan Qi-Jian QJ Chen Li-Zhuang LZ

Acta crystallographica. Section E, Crystallographic communications 20151212 Pt 12

In the structure of the binuclear title compound, [Cd2(C6H13N2)2Cl6], two Cd(II) atoms are bridged by two Cl(-) ligands, defining a centrosymmetric Cd2Cl2 motif. Each metal cation is additionally coordinated by two Cl(-) ligands and the N atom of a protonated 1,4-di-aza-bicyclo-[2.2.2]octane (H-DABCO)(+) ligand, leading to an overall trigonal-bipyramidal coordination environment with one of the bridging Cl(-) ligands and the N atom at the apical sites. In the crystal, the neutral dimers are link ...[more]

PMID: 26870454

Similar Datasets

1,4-Di-aza-bicyclo-[2.2.2]octane-1,4-diium bis-(3-chloro-benzoate).

Project description:In the title salt C6H14N2 (2+)·2C7H4ClO2 (-), two 3-chloro-benzoate (3CBA) anions are bridged by one diprotonated 1,4-di-aza-bicyclo-[2.2.2]octane-1,4-diium (H2DABCO(2+)) dication through N-H?O hydrogen bonds. In this way, a trimeric unit is generated, in which the mean planes of the two 3CBA anions are twisted with respect to each other by a dihedral angle of 59.87?(9)°. The trimeric units are linked into a three-dimensional network via weak C-H?O inter-actions.

| S-EPMC3998315 | biostudies-literature

1,4-Diazo-niabi-cyclo-[2.2.2]octane tetra-chlorido-cadmate(II) monohydrate.

Project description:The asymmetric unit of the title compound (C6H14N2)[CdCl4]·H2O contained one 1,4-di-aza-bicyclo-[2.2.2]octane dication, a tetrahedral CdCl4 (2-) anion and a lattice water mol-ecule. In the crystal, the solvate water mol-ecule inter-acts with the cationic and anionic species via N-H?O and O-H?Cl [O?Cl = 3.289?(7)?Å] hydrogen-bond inter-actions, respectively, leading to a layered supramolecular structure extending parallel to (011).

| S-EPMC4011291 | biostudies-literature

Crystal structure of trans-di-chlorido-(1,4,8,11-tetra-aza-cyclo-tetra-decane-?4 N)chromium(III) bis-(form-amide-?O)(1,4,8,11-tetra-aza-cyclo-tetra-decane-?4 N)chromium(III) bis-[tetra-chlorido-zincate(II)].

Project description:The structure of the title compound, [CrCl2(C10H24N4)][Cr(HCONH2)2(C10H24N4)][ZnCl4]2 (C10H24N4 = 1,4,8,11-tetra-aza-cyclo-tetra-decane, cyclam; HCONH2 = formamide, fa), has been determined from synchrotron X-ray data. The asymmetric unit contains two independent halves of the [CrCl2(cyclam)]+ and [Cr(fa)(cyclam)]3+ cations, and one tetra-chlorido-zincate anion. In each complex cation, the CrIII ion is coordinated by the four N atoms of the cyclam ligand in the equatorial plane and two Cl ligands or two O-bonded formamide mol-ecules in a trans axial arrangement, displaying a distorted octa-hedral geometry with crystallographic inversion symmetry. The Cr-N(cyclam) bond lengths are in the range 2.061?(2) to 2.074?(2)?Å, while the Cr-Cl and Cr-O(fa) bond distances are 2.3194?(7) and 1.9953?(19)?Å, respectively. The macrocyclic cyclam moieties adopt the centrosymmetric trans-III conformation with six- and five-membered chelate rings in chair and gauche conformations. The crystal structure is stabilized by inter-molecular hydrogen bonds involving the NH or CH groups of cyclam and the NH2 group of coordinated formamide as donors, and Cl atoms of the ZnCl4 2- anion as acceptors.

| S-EPMC7199251 | biostudies-literature

Crystal structure of the new hybrid material bis-(1,4-diazo-niabi-cyclo-[2.2.2]octa-ne) di-?-chlorido-bis-[tetra-chlorido-bis-muthate(III)] dihydrate.

Project description:The title compound bis-(1,4-diazo-niabi-cyclo-[2.2.2]octa-ne) di-?-chlorido-bis-[tetra-chlorido-bis-muthate(III)] dihydrate, (C6H14N2)2[Bi2Cl10]·2H2O, was ob-tain-ed by slow evaporation at room temperature of a hydro-chloric aqueous solution (pH = 1) containing bis-muth(III) nitrate and 1,4-di-aza-bicyclo-[2.2.2]octane (DABCO) in a 1:2 molar ratio. The structure displays a two-dimensional arrangement parallel to (100) of isolated [Bi2Cl10](4-) bi-octa-hedra (site symmetry -1) separated by layers of organic 1,4-diazo-niabi-cyclo-[2.2.2]octane dications [(DABCOH2)(2+)] and water mol-ecules. O-H?Cl, N-H?O and N-H?Cl hydrogen bonds lead to additional cohesion of the structure.

| S-EPMC4645089 | biostudies-other

catena-Poly[[chloridomercury(II)]-?-1,4-diaza-bicyclo-[2.2.2]octane-?N:N'-[chlorido-mercury(II)]-di-?-chlorido].

Project description:In the title coordination polymer, [Hg(2)Cl(4)(C(6)H(12)N(2))](n), each Hg(II) center within the chain is four-coordinated by one terminal Cl atom, two bridging ?(2)-Cl atoms, and one N-atom donor from a ?(2)-1,4-diaza-bicyclo-[2.2.2]octane (?(2)-daco) ligand in a distorted tetra-hedral geometry. The daco ligand acts as an end-to-end bridging ligand and bridges adjacent Hg(II) centers, forming a chain running along [001]. Weak C-H?Cl hydrogen-bonding inter-actions link the chains into a three-dimensional network. Comparison of the structural differences with previous findings suggests that the space between the two N donors, as well as the skeletal rigidity in N-heterocyclic linear ligands, may play an important role in the construction of such supra-molecular networks.

| S-EPMC2971285 | biostudies-literature

Crystal structures of 1,4-di-aza-bicyclo-[2.2.2]octan-1-ium 4-nitro-benzoate dihydrate and 1,4-di-aza-bicyclo-[2.2.2]octane-1,4-diium bis-(4-nitro-benzoate): the influence of solvent upon the stoichiometry of the formed salt.

Project description:The 1:1 co-crystallization of 1,4-di-aza-bicyclo-[2.2.2]octane (DABCO) with 4-nitro-benzoic acid in ethanol-water (3/1) gave the salt dihydrate C6H13N2 (+)·C7H4NO4 (-)·2H2O, (1), whereas from methanol, the salt C6H14N2 (2+)·2C7H4NO4 (-), (2), was isolated. In (1), the cation and anion are linked by a strong N-H?O hydrogen bond, and the carboxyl-ate anion is close to planar [dihedral angle between terminal residues = 6.83?(9)°]. In (2), a three-ion aggregate is assembled by two N-H?O hydrogen bonds, and the carboxyl-ate anions are again close to planar [dihedral angles between terminal residues = 1.7?(3) and 5.9?(3)°]. Through the inter-vention of solvent water mol-ecules, which self-assemble into helical supra-molecular chains along the b axis, the three-dimensional architecture in (1) is stabilized by water-DABCO O-H?N and water-carboxyl-ate O-H?O hydrogen bonds, with additional stability afforded by C-H?O inter-actions. The global crystal structure comprises alternating layers of water mol-ecules and ion pairs stacked along the c axis. In the crystal of (2), the three-ion aggregates are assembled into a three-dimensional architecture by a large number of methyl-ene-carboxyl-ate/nitro C-H?O inter-actions as well as ?-? contacts between inversion-related benzene rings [inter-centroid distances = 3.5644?(16) and 3.6527?(16)?Å]. The cations and anions assemble into alternating layers along the c axis.

| S-EPMC4120614 | biostudies-literature

Di-?-chlorido-dichlorido-bis{8-[2-(di-methyl-amino)-ethyl-amino]-quinoline}dicadmium monohydrate.

Project description:The title complex, [Cd2Cl4(C13H17N3)2]·H2O, is centrosymmetic and contains two Cd(2+) ions bridged by two Cl(-) ions, leading to a strictly planar Cd2Cl2 core. Each Cd(2+) ion is further coordinated by an additional Cl(-) ion and three N atoms of a tridentate 8-[2-(di-methyl-amino)-ethyl-amino]-quinoline ligand in the form of a considerably distorted octa-hedron for the overall coordination sphere. A lattice water mol-ecule is located on a twofold rotation axis and links pairs of complexes through N-H?O and O-H?Cl hydrogen bonds.

| S-EPMC3884398 | biostudies-literature

Bis(1,4-diazo-niabi-cyclo-[2.2.2]octa-ne) di-?-chlorido-bis-[tetra-chlorido-anti-monate(III)] dihydrate.

Project description:The title salt, (C6H14N2)2[Sb2Cl10]·2H2O, was obtained by slow evaporation of an acidic solution of 1,4-di-aza-bicyclo-[2.2.2]octane and SbCl3. The crystal structure consists of (C6H14N2)(2+) cations, [Sb2Cl10](4-) double octa-hedra and lattice water mol-ecules. All mol-ecular components are situated on special positions. The cation and the lattice water mol-ecule exhibit mirror symmetry, whereas the anion has site symmetry 2/m. The cations, anions and water mol-ecules are alternately arranged into columns along [010]. Individual columns are joined into layers extending along (001). Intra-layer N-H?O and inter-layer N-H?Cl hydrogen-bonding inter-actions lead to the formation of a three-dimensional network.

| S-EPMC3684890 | biostudies-other

Crystal structure of bis-(1,4-di-aza-bicyclo-[2.2.2]octan-1-ium) thio-sulfate dihydrate.

Project description:The crystal structure of the hydrated title salt, 2C6H13N2 (+)·S2O3 (2-)·2H2O, contains a centrosymmetric cyclic motif of eight hydrogen-bonded mol-ecular subunits. Two DABCOH(+) cations (DABCO = 1,4-di-aza-bicyclo-[2.2.2]octa-ne) are linked to two water mol-ecules and two thio-sulfate anions via O-H?N and O-H?O hydrogen bonds, respectively. Two other water mol-ecules close the cyclic motif through O-H?O contacts to the first two water mol-ecules and to the two thio-sulfate anions. A second pair of DABCOH(+) cations is N-H?O hydrogen bonded to the two anions and is pendant to the ring. Adjacent cyclic motifs are bridged into a block-like arrangement extending along [100] through O-H?O inter-actions involving the second pair of water mol-ecules and neighbouring thio-sulfate anions.

| S-EPMC4778808 | biostudies-other

Di-μ-chlorido-bis-[bis-(η-cyclo-octene)iridium(I)].

Project description:The title complex, [Ir(2)(μ-Cl)(2)(C(8)H(14))(4)], has a dinuclear structure with bridging Cl atoms, a hinge angle of 179.44 (7)° between the two IrCl(2) planes, and an Ir⋯Ir distance of 3.7254 (3) Å. Regarding the coordinating C=C bonds as occupying a single coordination site each, the geometry around each Ir atom is square-planar.

| S-EPMC2960958 | biostudies-literature

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

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