Browse
Submit Data
Databases
API
Help

Dataset Information

14 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Poly[(aceto-nitrile-?N)-?3-thio-cyanato-?(3) N:S:S-?2-thio-cyanato-?(2) N:S-cadmium].

ABSTRACT: The asymmetric unit of the title compound, [Cd(NCS)2(CH3CN)] n , consists of one Cd(II) cation, two thio-cyanate anions and one aceto-nitrile ligand, all in general positions. The Cd(II) cation is coordinated by three N atoms of two thio-cyanate anions and one aceto-nitrile ligand, as well as three S atoms of symmetry-related thio-cyanate anions within a slightly distorted octa-hedral coordination environment. The Cd(II) cations are linked by ?-1,3(N,S) and ?-1,1,3(S,S,N) thio-cyanate anions into layers that are located in the ab plane.

SUBMITTER: Reinert T

PROVIDER: S-EPMC3772428 | biostudies-literature | 2013

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Poly[(aceto-nitrile-κN)-μ3-thio-cyanato-κ(3) N:S:S-μ2-thio-cyanato-κ(2) N:S-cadmium].

Reinert Thorben T Jess Inke I Näther Christian C

Acta crystallographica. Section E, Structure reports online 20130615 Pt 7

The asymmetric unit of the title compound, [Cd(NCS)2(CH3CN)] n , consists of one Cd(II) cation, two thio-cyanate anions and one aceto-nitrile ligand, all in general positions. The Cd(II) cation is coordinated by three N atoms of two thio-cyanate anions and one aceto-nitrile ligand, as well as three S atoms of symmetry-related thio-cyanate anions within a slightly distorted octa-hedral coordination environment. The Cd(II) cations are linked by μ-1,3(N,S) and μ-1,1,3(S,S,N) thio-cyanate anions int ...[more]

PMID: 24046571

Similar Datasets

Tetra-aceto-nitrile-lithium tetra-iso-thio-cyanato-borate.

Project description:The crystal structure of the title salt, [Li(CH3CN)4][B(NCS)4], is composed of discrete cations and anions. Both the Li and B atoms show a tetra-hedral coordination by four equal ligands. The aceto-nitrile and iso-thio-cyanate ligands are linear. The bond angles at the B atom are close to the ideal tetra-hedral value [108.92?(18)-109.94?(16)°], but the bond angles at the Li atom show larger deviations [106.15?(17)-113.70?(17)°].

| S-EPMC3647800 | biostudies-other

Diammine(2,2'-bipyridine)-bis(thio-cyan-ato--?N)cobalt(III) diamminetetra-kis(thio-cyanato--?N)chromate(III) aceto-nitrile disolvate.

Project description:The new heterometallic title complex, [Co(NCS)(2)(C(10)H(8)N(2))(NH(3))(2)][Cr(NCS)(4)(NH(3))(2)]·2CH(3)CN, has been prepared using the open-air reaction of cobalt powder, Reineckes salt and 2,2'-bipyridine (dpy) in acetonitrile. The crystal structure consists of discrete cationic [Co(NCS)(2)(NH(3))(2)(dpy)](+) and anionic [Cr(NCS)(4)(NH(3))(2)](-) building blocks, both with 2 symmetry, and acetonitrile solvent mol-ecules, which are linked together by N-H?N hydrogen bonds, forming extended supra-molecular chains. Furthermore, N-H?S, C-H?S and C-H?N hydrogen bonds inter-link neighbouring chains into a three-dimensional framework. The Co atom is in an elongated octa-hedral coordination environment with two N atoms from the dpy ligands and two NCS-groups in the equatorial plane and with two NH(3) mol-ecules at the axial positions. The Cr(III) ion is octa-hedraly coordinated by two NH(3) mol-ecules at the axial positions and four NCS-groups in the equatorial plane. Intensity statistics indicated non-merohedral twinning with the twin matrix [100; 0[Formula: see text]0; [Formula: see text]0[Formula: see text]]. The refined ratio of the twin components is 0.530?(1):0.470?(1).

| S-EPMC3212116 | biostudies-other

Poly[(?-1,3-thio-cyanato-?N,S)(iso-nicotin-ato-?N,O)(ethanol-?O)cadmium(II)].

Project description:In the crystal structure of the title compound, [Cd(NCS)(C(6)H(4)NO(2))(C(2)H(5)OH)](n), the Cd(2+) cation is coordinated by one N and two O atoms of two symmetry-related isonicotinate anions, one ethanol mol-ecule and two ?-1,3-bridging thio-cyanate anions in a distorted octa-hedral N(2)O(3)S geometry. The metal cations are ?-1,3-bridged via thio-cyanate anions into chains that are further connected into layers parallel to the ab plane by bridging isonicotinate anions. The layers are stacked along the c axis. The crystal structure is stabilized by O-H?O hydrogen bonds.

| S-EPMC3515102 | biostudies-literature

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

Crystal structure, synthesis and thermal properties of bis-(aceto-nitrile-?N)bis-(4-benzoyl-pyridine-?N)bis-(iso-thio-cyanato-?N)nickel(II).

Project description:In the crystal structure of the title com-pound, [Ni(NCS)2(CH3CN)2(C12H9NO)2] or Ni(NCS)2(4-benzoyl-pyridine)2(aceto-nitrile)2, the NiII ions are octa-hedrally coordinated by the N atoms of two thio-cyanate anions, two 4-benzoyl-pyridine ligands and two aceto-nitrile mol-ecules into discrete com-plexes that are located on centres of inversion. In the crystal, the discrete com-plexes are linked by centrosymmetric pairs of weak C-H?S hydrogen bonds into chains. Thermogravimetric measurements prove that, upon heating, the title com-plex loses the two aceto-nitrile ligands and transforms into a new crystalline modification of the chain com-pound [Ni(NCS)2(4-benzoyl-pyridine)2], which is different from that of the corresponding CoII, NiII and CdII coordination polymers reported in the literature. IR spectroscopic investigations indicate the presence of bridging thio-cyanate anions but the powder pattern cannot be indexed and, therefore, this structure is unknown.

| S-EPMC6829719 | biostudies-literature

catena-Poly[[{N,N-dimethyl-N'-[1-(pyridin-2-yl)ethyl-idene]ethane-1,2-diamine-?N,N',N''}(thio-cyanato-?N)cadmium]-?-thio-cyanato-?S:N].

Project description:In the title compound, [Cd(NCS)(2)(C(11)H(17)N(3))](n), the Cd(II) atom is octa-hedrally coordinated by the N,N',N''-tridentate Schiff base ligand and one terminal thio-cyanate N atom. Two trans-N:S-bridging thio-cyanates complete the N(5)S donor set around the Cd atom. In the crystal, adjacent Cd(II) ions are linked by the thio-cyanate N:S-bridges into polymeric chains along the c axis.

| S-EPMC3099776 | biostudies-literature

Poly[bis(?(3)-thio-cyanato-?N:S:S')(?(2)-thio-cyanato-?N:S)(4'-p-tolyl-2,2':6',2''-terpyridine-?N,N',N'')cadmium(II)silver(I)].

Project description:The title compound, [AgCd(NCS)(3)(C(22)H(17)N(3))](n), is a hetero-atom ribbon coordination polymer. The central Cd atom is chelated by the 4'-p-tolyl-2,2':6',2''-terpyridine ligand and is coordinated by the N atoms of three thio-cyanate ions in an octa-hedral geometry whereas the Ag atom is coordinated by the four S atoms of four thio-cyanate ions in a distorted tetra-hedral geometry. Of the three thio-cyanate ions, one functions in a ?(2)-bridging mode and two in a ?(3)-bridging mode. The ribbon coordination polymer propagates along the a-axis.

| S-EPMC2983338 | biostudies-literature

Di-?-thio-cyanato-?N:S;?S:N-bis-[bis-(2-methyl-1H-benzimidazole-?N)(thio-cyanato-?N)cadmium(II)].

Project description:The title compound, [Cd(2)(NCS)(4)(C(8)H(8)N(2))(4)], is a centrosymmetric dinuclear cadmium(II) complex in which each two metal ions are linked by a pair of thio-cyanate N:S-bridges. Two 2-methyl-benzimidazole N-atom donors and one terminal thio-cyanate N atom complete a highly distorted square-pyramidal geometry around the Cd atom. In the crystal structure, two N-H?S hydrogen-bonding inter-actions occur, resulting in a three-dimensional polymeric structure. The apical 2-methyl-benzimidazole ring and its symmetry-related counterpart are arranged in an anti-parallel manner with a centroid-centroid separation of 3.6050?(14)?Å, indicative of a ?-? inter-action.

| S-EPMC3009005 | biostudies-literature

Poly[[1-(2-pyrid-yl)ethanone-?N,O]di-?(2)-thio-cyanato-?N:S;?S:N-cadmium(II)].

Project description:In the title compound, [Cd(NCS)(2)(C(7)H(7)NO)](n), the Cd(2+) ion is six-coordinated by one N,O-bidentate 1-(2-pyridyletahanone ligand, two N-bonded thio-cyanate ions and two S-bonded thio-cyanate ions. In the resulting distorted CdOS(2)N(3) octa-hedron, the N atoms adopt a fac arrangement. The bridging thio-cyanate ions lead to infinite sheets oriented parallel to (101) in the crystal structure.

| S-EPMC3007290 | biostudies-literature

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

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