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

ABSTRACT: 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].

SUBMITTER: Li H

PROVIDER: S-EPMC2977348 | biostudies-other | 2009

REPOSITORIES: biostudies-other

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

Li Hong H Xie Long Miao LM

Acta crystallographica. Section E, Structure reports online 20090718 Pt 8

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]. ...[more]

PMID: 21583388

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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-[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.

Project description: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.

| S-EPMC2959435 | biostudies-other

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

catena-Poly[[bis-[1-phenyl-3-(1H-1,2,4-triazol-1-yl)propan-1-one-?N]cadmium(II)]-di-?-azido-?N: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 ?-1,3-fashion, forming an infinite one-dimensional array.

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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

catena-Poly[[bis-(thio-cyanato-?N)cobalt(II)]-di-?-thio-urea-?(4)S:S].

Project description:In the title polymeric complex, [Co(NCS)(2){SC(NH(2))(2)}(2)](n), the asymmetric unit comprises a Co(II) ion, which is situated on an inversion centre, an N-bound thio-cyanate anion and a ?(2)-bridging thio-urea mol-ecule. The Co(II) atom is coordinated in a distorted octa-hedral fashion within an N(2)S(4) donor set. The bridging thio-urea ligands link Co(II) ions into a polymeric chain extending along [100]. The mol-ecular conformation is stabilized by intra-molecular N-H?N hydrogen bonds, which generate S(6) ring motifs. The crystal packing is stabilized by N-H?S inter-actions, which connect the chains into a three-dimensional architecture.

| S-EPMC3414167 | biostudies-literature

catena-Poly[(E)-4,4'-(ethene-1,2-di-yl)dipyridinium [[bis-(thio-cyanato-?N)ferrate(II)]-di-?-thio-cyanato-?N:S;?S:N]].

Project description:In the title compound, {(C(12)H(12)N(2))[Fe(NCS)(4)]}(n), each Fe(II) cation is coordinated by four N-bonded and two S-bonded thio-cyanate anions in an octa-hedral coordination mode. The asymmetric unit consists of one Fe(II) cation, located on a center of inversion, as well as one protonated (E)-4,4'-(ethene-1,2-di-yl)dipyridinium dication and two thio-cyanate anions in general positions. The crystal structure consists of Fe-(NCS)(2)-Fe chains extending along the a axis, in which two further thio-cyanate anions are only terminally bonded via nitro-gen. Non-coordinating (E)-4,4'-(ethene-1,2-di-yl)dipyrid-inium cations are found between the chains.

| S-EPMC2983361 | 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

catena-Poly[[[bis-(thio-urea-?S)cadmium]-di-?-thio-cyanato-?(2)N:S;?(2)S:N] dihydrate].

Project description:The title compound, {[Cd(NCS)(2)(CH(4)N(2)S)(2)]·2H(2)O}(n), forms a one-dimensional chain parallel to the a axis, caused by the presence of the bridging thio-cyanate groups. Two solvent mol-ecules per complex are present in the lattice. The Cd(II) ion is situated on an inversion centre and is coordinated in a distorted octa-hedral fashion by two N and two S atoms from four thio-cyanate ligands and by two S atoms from two thio-urea mol-ecules. Weak O-H?S, N-H?O and N-H?N inter-actions reinforce the structure.

| S-EPMC3414119 | biostudies-other

catena-Poly[(E)-4,4'-(ethane-1,2-di-yl)dipyridinium [[bis-(thio-cyanato-κN)ferrate(II)]-di-μ-thio-cyanato-κN:S;κS:N]].

Project description:In the crystal structure of the title compound, {(C(12)H(14)N(2))[Fe(NCS)(4)]}(n), the iron(II) cation is coordinated by four N-bonded and two S-bonded thio-cyanate anions in a distorted octa-hedral coordination mode. The asymmetric unit consists of half an iron(II) cation and half a protonated (E)-4,4'-(ethane-1,2-di-yl)dipyridinium dication, each located on a centre of inversion. In addition, there are two thio-cyanate anions in general positions. The crystal structure consists of Fe-(NCS)(2)-Fe chains in which each iron(II) cation is additionally coordinated by two terminal N-bonded thio-cyanate anions. Non-coordinating dipyridinium dications are present between the thiocyanatoferrate(II) chains and are connected to the anions via N-H⋯N and N-H⋯S hydrogen-bond interactions.

| S-EPMC3246934 | biostudies-literature

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