Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Catena-Poly[[bis-[2-chloro-6-(1H-1,2,4-triazol-1-yl-?N)pyridine]cadmium(II)]-di-?-thio-cyanato-?N:S;?S:N]: a one-dimensional coordination polymer.

ABSTRACT: In the crystal structure of the title complex, [Cd(NCS)(2)(C(7)H(5)ClN(4))(2)](n), the Cd(II) atom lies on a crystallographic inversion center and assumes a distorted octa-hedral geometry. The 2-chloro-6-(1H-1,2,4-triazol-1-yl)pyridine mol-ecule acts as a terminal ligand. The thio-cyanate ligands function as ?(1,3)-bridging units connecting adjacent Cd(II) atoms with a separation of 5.7525?(11)?Å, forming a one-dimensional chain along the a axis.

SUBMITTER: Yang ZN

PROVIDER: S-EPMC2959435 | biostudies-other | 2008

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Publications

catena-Poly[[bis-[2-chloro-6-(1H-1,2,4-triazol-1-yl-κN)pyridine]cadmium(II)]-di-μ-thio-cyanato-κN:S;κS:N]: a one-dimensional coordination polymer.

Yang Zhong Nian ZN Sun Ting Ting TT

Acta crystallographica. Section E, Structure reports online 20080927 Pt 10

In the crystal structure of the title complex, [Cd(NCS)(2)(C(7)H(5)ClN(4))(2)](n), the Cd(II) atom lies on a crystallographic inversion center and assumes a distorted octa-hedral geometry. The 2-chloro-6-(1H-1,2,4-triazol-1-yl)pyridine mol-ecule acts as a terminal ligand. The thio-cyanate ligands function as μ(1,3)-bridging units connecting adjacent Cd(II) atoms with a separation of 5.7525 (11) Å, forming a one-dimensional chain along the a axis. ...[more]

PMID: 21201062

Similar Datasets

catena-Poly[[bis-(pyridine-κN)cadmium]-di-μ(2)-thio-cyanato-κN:S;κS:N].

Project description:The asymmetric unit of the title compound, [Cd(NCS)(2)(C(5)H(5)N)(2)](n), consists of two crystallographically independent Cd(II) cations, four thio-cyanato anions and four pyridine ligands. The Cd(II) atoms are each coordinated by four N atoms from two pyridine ligands and two thio-cyanato anions, each in a mutually cis orientation, and by two S atoms from two adjacent thio-cyanato anions within a slightly distorted octa-hedral coordination environment. The Cd(II) atoms are μ-1,3-bridged via the thio-cyanato anions into polymeric chains parallel to [001]. The Cd(II)⋯Cd(II) intra-chain separations range between 5.9688 (6) and 6.0195 (6) Å, whereas the shortest Cd(II)⋯Cd(II) inter-chain separations are 7.8272 (7) and 8.6312 (6) Å.

| S-EPMC3099960 | biostudies-literature

Diaquabis-(thio-cyanato-?N)bis[6-(4H-1,2,4-triazol-4-yl-?N(1))pyridin-2-amine]-cadmium.

Project description:In the title compound, [Cd(NCS)(2)(C(7)H(7)N(5))(2)(H(2)O)(2)], the Cd(II) cation lies on an inversion center and is coordinated by the N atoms of two thiocyanate anions, by N atoms of two 6-(4H-1,2,4-triazol-4-yl)pyridin-2-amine ligands and by the O atoms of two water molecules in a distorted N(4)O(2) octa-hedral geometry. The dihedral angle between the triazole and pyridine rings is 23.15?(12)°. In the crystal, mol-ecules are linked by N-H?N and O-H?S hydrogen bonds. Offset ?-? stacking between parallel pyridine rings of adjacent mol-ecules is also observed, the centroid-centroid distance being 3.6319?(14)?Å.

| S-EPMC3414147 | 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

Bis(?-3,5-dimethyl-4H-1,2,4-triazol-4-amine-?N:N)bis-[bis-(thio-cyanato-?N)zinc]-bis-(3,5-dimethyl-4H-1,2,4-triazol-4-amine-?N)bis-(thio-cyanato-?N)zinc (1/2).

Project description:In the crystal structure of the title 1:2 adduct, [Zn(2)(NCS)(4)(C(4)H(8)N(4))(2)]·2[Zn(NCS)(2)(C(4)H(8)N(4))(2)] or (Ia)·2(Ib), each Zn(II) atom is coordinated in a distorted tetra-hedral geometry by four N atoms from two triazole rings of two 4-amino-3,5-dimethyl-1,2,4-triazole (admt) ligands and two NCS(-) ligands. In (Ia), double N(1):N(2)-bridging admt ligands connect two Zn(II) atoms, forming a dimer with a Zn(2)(admt)(2) six-membered metallacycle located on a crystallographic inversion center. In (Ib), the admt ligands exhibit monodentate N(1)-coordination modes. Weak N-H?N, N-H?S and C-H?S hydrogen bonds play an important role in the inter-molecular packing. The S and C atoms of two thiocyanato ligands are disordered over two sets of sites in ratios of 0.57?(3):0.43?(3) and 0.63?(3):0.37?(3), respectively.

| S-EPMC3212172 | biostudies-literature

catena-Poly[[[2,6-bis-(pyrazol-1-yl-κN)pyridine-κN](nitrato-κO,O')cadmium(II)]-μ-thio-cyanato-κN:S].

Project description:In the title crystal structure, [Cd(NCS)(NO(3))(C(11)H(9)N(5))](n), the unique Cd(II) ion is coordinated in a distorted penta-gonal-bipyramidal environment. The axial thio-cyanate ligands act in a μ(1,3)-bridging mode to connect symmetry-related Cd(II) ions into one-dimensional chains along [010]. In addition, there are inter-molecular C-H⋯O contacts between chains.

| S-EPMC2959772 | biostudies-literature

Crystal structure of catena-poly[[(3-tert-butyl-pyridine-?N)(4-tert-butyl-pyridine-?N)cadmium]-di-?-thio-cyanato-?(2) N:S;?(2) S:N].

Project description:In the crystal structure of the title compound, [Cd(NCS)2(C9H13N)2] n , the Cd(II) cations are coordinated in a slightly distorted octa-hedral geometry by one 3-tert-butyl-pyridine ligand, one 4-tert-butyl-pyridine ligand and two pairs of translationally-equivalent ?-1,3-bridging thio-cyanate ligands, all of which are in general positions. These ?-1,3-bridging thio-cyante anions bridge the Cd(II) cations, forming chains that propagate parallel to the b axis.

| S-EPMC4257453 | biostudies-literature

catena-Poly[[bis-(2-chloro-pyrazine-κN (4))cadmium]-di-μ-thio-cyanato-κ(2) N:S;κ(2) S:N].

Project description:Reaction of cadmium thio-cyanate with 2-chloro-pyrazine leads to the polymeric title compound, [Cd(NCS)2(C4H3ClN2)2] n . The Cd(II) cation, which is located on a center of inversion, is coordinated by two N-bonded and two S-bonded thio-cyanate anions and by two N-bonded 2-chloro-pyrazine ligands within a slightly distorted octa-hedron. The Cd(II) cations are linked into chains along the a axis by bridging thio-cyanate anions.

| S-EPMC3629477 | biostudies-literature

catena-Poly[[[bis-(thio-cyanato-?N)zinc]bis-[?-1,3,5-tris-(1H-1,2,4-triazol-1-yl-meth-yl)benzene-?(2)N(4):N(4')]] mono-hydrate].

Project description:In the title complex, {[Zn(NCS)(2)(C(15)H(15)N(9))(2)]·H(2)O}(n), the Zn(II) ion is located on an inversion centre and is six-coordinated in a distorted octa-hedral geometry, coordinated by N atoms from four bridging 1,3,5-tris-(1,2,4-triazol-1-ylmeth-yl)benzene (ttmb) ligands and two terminal SCN(-) counter-anions. Two of the three triazol groups in each ttmb ligand link the Zn(II) atoms, forming a looped-chain structure along [0-11]. The lattice water molecule shows half-occupancy due to disorder around an inversion centre.

| S-EPMC3470170 | biostudies-literature

Crystal structure of catena-poly[[[bis-(pyridine-4-carbo-thio-amide-κN (1))cadmium]-di-μ-thio-cyanato-κ(2) N:S;κ(2) S:N] methanol disolvate].

Project description:The asymmetric unit of the polymeric title compound, {[Cd(NCS)2(C6H6N2S)]·2CH3OH} n , consists of one cadmium(II) cation that is located on a centre of inversion as well as one thio-cyanate anion, one pyridine-4-carbo-thio-amide ligand and one methanol mol-ecule in general positions. The Cd(II) cations are octa-hedrally coordinated by the pyridine N atom of two pyridine-4-carbo-thio-amide ligands and by the S and N atoms of four thio-cyanate anions and are linked into chains along [010] by pairs of anionic ligands. These chains are further linked into layers extending along (201) by inter-molecular N-H⋯O and O-H⋯S hydrogen bonds. One of the amino H atoms of the pyridine-4-carbo-thio-amide ligand is hydrogen-bonded to the O atom of a methanol mol-ecule, and a symmetry-related methanol mol-ecule is the donor group to the S atom of another pyridine-4-carbo-thio-amide ligand whereby each of the pyridine-4-carbo-thio-amide ligands forms two pairs of centrosymmetric N-H⋯S and O-H⋯S hydrogen bonds. The methanol mol-ecules are equally disordered over two orientations.

| S-EPMC4778826 | biostudies-literature

catena-Poly[[bis-(pyridine-?N)nickel(II)]-di-?-thio-cyanato-?(2) N:S;?(2) S:N].

Project description:In the title compound, [Ni(NCS)2(C5H5N)2] n , the Ni(2+) cation is coordinated by four thio-cyanate anions (?-1,3) and two pyridine ligands within a slightly distorted octa-hedral configuration. The Ni-N bond lengths to the pyridine rings are 2.1189?(17) and 2.1241?(17)?Å, whereas those to the thiocyanate anions are 2.0299?(18) and 2.0359?Å. The Ni-S bond lengths are 2.5357?(6) and 2.5568?(6)?Å. The Ni(2+) cations are linked by N:S-bridging thio-cyanate ligands into chains extending along [010]. The Ni?Ni distance within the chains is 5.5820?(5)?Å. The asymmetric unit contains two Ni(2+) cations of which one is located on a centre of inversion, whereas the second is located on a general position.

| S-EPMC4051106 | 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