Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Poly[di-?-thiocyanato-?N:S;?S:N-bis-[2-(1H-1,2,3-triazol-1-yl-?N)pyra-zine]cadmium(II)].

ABSTRACT: In the title two-dimensional coordination polymer, [Cd(NCS)(2)(C(6)H(5)N(5))(2)](n), the Cd(II) ion (site symmetry ) is coordinated by two N atoms from two 2-(1H-1,2,3-triazol-1-yl)pyrazine ligands and two N and two S atoms from four thio-cyanate anions. The N-Cd bond lengths range from 2.323?(2) to 2.3655?(19)?Å and the S-Cd bond length is 2.7117?(7)?Å. The associated cisoid angles vary from 84.99?(7) to 95.01?(7)°, indicating that the Cd(II) ion assumes a distorted octa-hedral geometry. In the complex, each thio-cyanate anion functions as a bridging ligand, linking adjacent Cd(II) ions with a separation of 6.4919?(6)?Å, resulting in the formation of a two-dimensional sheet structure in the bc plane.

SUBMITTER: Liu CQ

PROVIDER: S-EPMC2970489 | biostudies-literature | 2009 Sep

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Poly[di-μ-thiocyanato-κN:S;κS:N-bis-[2-(1H-1,2,3-triazol-1-yl-κN)pyra-zine]cadmium(II)].

Liu Cheng Qi CQ Xie Long Miao LM Zhao Ming Gen MG

Acta crystallographica. Section E, Structure reports online 20090912 Pt 10

In the title two-dimensional coordination polymer, [Cd(NCS)(2)(C(6)H(5)N(5))(2)](n), the Cd(II) ion (site symmetry ) is coordinated by two N atoms from two 2-(1H-1,2,3-triazol-1-yl)pyrazine ligands and two N and two S atoms from four thio-cyanate anions. The N-Cd bond lengths range from 2.323 (2) to 2.3655 (19) Å and the S-Cd bond length is 2.7117 (7) Å. The associated cisoid angles vary from 84.99 (7) to 95.01 (7)°, indicating that the Cd(II) ion assumes a distorted octa-hedral geometry. In the ...[more]

PMID: 21577737

Similar Datasets

catena-Poly[[bis-(1-ethyl-1H-imidazole-?N)cadmium]-di-?-chlorido-[(1-ethyl-1H-imidazole-?N)cadmium]-di-?-chlorido-[(1-ethyl-1H-imidazole-?N)cadmium]-di-?-chlorido-[bis-(1-ethyl-1H-imidazole-?N)cadmium]].

Project description:The asymmetric unit of the crystal structure of the title compound, [Cd(2)Cl(4)(C(5)H(8)N(2))(3)](n), contains two Cd(II) cations, three 1-ethyl-1H-imidazole ligands, and four Cl(-) anions. The two Cd(II) atoms have quite different coordination environments: one is octa-hedrally coordinated by four Cl atoms and two N atoms from two 1-ethyl-1H-imidazole ligands, and the second is in a severely distorted fivefold coordination by four Cl atoms and one N atom from a 1-ethyl-1H-imidazole ligand. Adjacent Cd(II) cations are inter-connected alternately by pairs of chloride bridges, generating an infinite step-like chain along the a axis. One ethyl group of the 1-ethyl-1H-imidazole ligand is disordered over two sets of sites with a 0.668?(13):0.332?(13) site-occupancy ratio.

| S-EPMC3238745 | biostudies-literature

catena-Poly[[bis-[1-phenyl-3-(1H-1,2,4-triazol-1-yl)propan-1-one-κN]cadmium(II)]-di-μ-azido-κN:N].

Project description:In the crystal structure of the title complex, [Cd(N(3))(2)(C(11)H(11)N(31))(2)](n), there are two crystallographically independent Cd(II) atoms. Both exist in an octa-hedral environment composed of four N atoms of the N(3) (-) groups and two N atoms from two monodentate 1-phenyl-3-(1H-1,2,4-triazol-1-yl)propan-1-one ligands that are positioned trans to each other. Adjacent Cd(II) centres in the crystal structure are bridged by a pair of N(3) (-) anions in a μ-1,3-fashion, forming an infinite one-dimensional array.

| S-EPMC2961553 | biostudies-literature

catena-Poly[[bis-[2-(1H-1,2,4-triazol-1-yl-?N)pyrazine]cadmium(II)]-di-?-thio-cyanato-?S:N;?N:S].

Project description:The title compound, [Cd(NCS)(2)(C(6)H(5)N(5))(2)](n), is a coordination polymer with the Cd(II) centre located on a twofold rotation axis. The Cd(II) centre assumes a distorted octa-hedral geometry. The thio-cyanate anions function as bridging ligands between the Cd(II) centres, leading to a chain-like arrangement expanding along [001].

| S-EPMC2977348 | biostudies-other

catena-Poly[(dichloridocadmium)-di-?-chlorido-[bis-(morpholinium-?O)cadmium]-di-?-chlorido].

Project description:In the title compound, [Cd(2)Cl(6)(C(4)H(10)NO)(2)](n), the coordination geometry of each Cd(II) ion is distorted octa-hedral, but with quite different coordination environments. One Cd(II) atom is coordinated by four Cl atoms and two O atoms from two morpholinium ligands, while the other is coordinated by six Cl atoms. Adjacent Cd(II) atoms are inter-connected alternately by paired chloride bridges, generating a chain parallel to the a axis. Inter-chain N-H?Cl inter-actions form a two-dimensional network.

| S-EPMC3212201 | biostudies-literature

Di-tert-butyl N-{[1-(pyridin-4-yl)-1H-1,2,3-triazol-4-yl]methyl}iminodiacetate.

Project description:In the title compound, C(20)H(29)N(5)O(4), the pyridine ring makes a dihedral angle of 10.41?(16)° with the triazole ring, which exhibits an azo-like character. In the crystal, mol-ecules are linked by C-H?O and C-H?N hydrogen bonds, and C-H?? inter-actions involving a methyl group and the pyridine ring of a neighbouring mol-ecule, leading to the formation of a three-dimensional network.

| S-EPMC3515257 | biostudies-literature

Bis[2-(1H-1,2,4-triazol-1-yl-?N)-1,10-phenanthroline-?N,N']cadmium(II) bis-(perchlorate).

Project description:In the title complex, [Cd(C(14)H(9)N(5))(2)](ClO(4))(2), the Cd(II) ion is coordinated by two tridentate 2-(1H-1,2,4-triazol-1-yl)-1,10-phenanthroline ligands in a distorted octa-hedral CdN(6) environment. In both 2-(1H-1,2,4-triazol-1-yl)-1,10-phenanthroline ligands, the 1,2,4-triazolyl ring and the 1,10-phenanthroline ring system are essentially coplanar [maximun deviations of 0.136?(7) and 0.273?(5)?Å, respectively]. The dihedral angle between the mean planes of the ligands is 89.65?(4)°. In the crystal structure, there is a weak ?-? stacking inter-action between a pyridine ring and a symmetry-related benzene ring with a centroid-centroid distance of 3.772?(3)?Å.

| S-EPMC2971072 | biostudies-literature

Di-aqua-bis-(nicotinamide-?N (1))bis-(thiocyanato-?S)cobalt(II).

Project description:In the title compound, [Co(NCS)2(C6H6N2O)2(H2O)2], the Co(II) cation is located on an inversion centre and is coordinated by two thio-cyanate anions, two nicotinamide mol-ecules and two water mol-ecules in a distorted N2O2S2 octa-hedral geometry. The amide group is twisted by 31.30?(16)° with respect to the pyridine ring. In the crystal, mol-ecules are linked by O-H?O, O-H?S and N-H?S hydrogen bonds into a three-dimensional supra-molecular network. Weak ?-? stacking is observed between parallel pyridine rings of adjacent mol-ecules, the centroid-centroid distance being 3.8270?(19)?Å.

| S-EPMC4051052 | biostudies-literature

Poly[bis-[?(2)-2-(1H-1,2,4-triazol-1-yl)acetato]zinc(II)].

Project description:In the title compound, [Zn(C(4)H(4)N(3)O(2))(2)](n), the Zn(II) atom is coordinated by two O atoms [Zn-O = 1.969?(2) and 1.997?(2)?Å] and two N atoms [Zn-N = 2.046?(2) and 2.001?(2)?Å] in a distorted tetra-hedral geometry. Non-classical inter-molecular C-H?O hydrogen bonds link the complex into a three-dimensional supra-molecular framework.

| S-EPMC2971393 | biostudies-literature

Poly[[(?2-benzene-1,3-di-carboxyl-ato){?2-1,4-bis-[(1H-imidazol-1-yl)meth-yl]benzene}-cadmium] di-methyl-formamide monosolvate].

Project description:The title coordination polymer, {[Cd(C8H4O4)(C14H14N4)]·C3H7NO} n , was synthesized by solvothermal reaction of metallic cadmium with the semi-rigid neutral ligand 1,4-bis-[(1H-imidazol-1-yl)meth-yl]benzene (bix) and the V-shaped benzene-1,3-di-carb-oxy-lic acid (m-H2bdc). The structure exhibits a pseudo-C-centring which is almost fulfilled by the polymeric metal complex but not by the solvent dimethylform-amide (DMF) mol-ecules. The asymmetric unit contains two independent Cd(II) ions, two m-bdc(2-) ligands, one and two half bix ligands, and two solvent DMF mol-ecules. The Cd(II) ions are both five-coordinated by three O atoms from two different m-bdc(2-) ligands and two N atoms from two different bix ligands in a distorted square-pyramidal geometry. The m-bdc(2-) ligands adopt a chelate-monodentate coordination mode, connecting neighboring Cd(II) ions into a zigzag chain parallel to [110]. Adjacent chains are further cross-linked by bix ligands, giving rise to a puckered sheet nearly perpendicular to the chain direction. Thus, each Cd(II) ion is connected to four neighboring Cd(II) ions through two m-bdc(2-) anions and two bix ligands, giving rise to the final non-inter-penetrating uninodal layer with sql (4,4) topology.

| S-EPMC3884267 | biostudies-literature

catena-Poly[cadmium-?-[1,3-bis-(imidazol-1-yl)propane]-di-?-chlorido].

Project description:The title complex, [CdCl(2)(C(9)H(12)N(4))](n), is characterized by the formation of a zigzag chain structure parallel to [001]. In the chain, the Cd(2+) cation is coordinated by four bridging Cl(-) ligands in equatorial positions and two N atoms from symmetry-related and likewise bridging 1,3-bis-(imidazol-1-yl)propane ligands in axial positions, forming a distorted CdCl(4)N(2) octa-hedron.

| S-EPMC3379108 | 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