Browse
Submit Data
Databases
API
Help

Dataset Information

11 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Crystal structure of the coordination polymer catena-poly[[[(acetonitrile-κN)copper(I)]-μ3-1,3-dithiolane-κ3 S:S:S'] hexafluoridophosphate].

ABSTRACT: The polymeric title compound, [Cu2(C2H3N)2(C3H6S2)2](PF6)2, represents an example of a one-dimensional coordination polymer resulting from the reaction of [Cu(MeCN)4][PF6] with 1,3-di-thiol-ane. The cationic one-dimensional ribbon consists of two copper(I) centers each ligated by one aceto-nitrile mol-ecule and inter-connected through two bridging 1,3-di-thiol-ane ligands. One S-donor site of each ligand is κ1-bound to Cu, whereas the second S atom acts as a four-electron donor, bridging two Cu atoms in a κ4-bonding mode. The positive charge of each copper cation is compensated for by a hexa-fluorido-phosphate counter-ion. In the crystal, the polymer chains are linked by a series of C-H⋯F hydrogen bonds, forming a supra-molecular framework.

SUBMITTER: Knauer L

PROVIDER: S-EPMC6944091 | biostudies-literature |

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Similar Datasets

catena-Poly[[dichloridocobalt(II)]-μ-1,3-di-4-pyridylpropane-κN:N'].

Project description:In the title compound, [CoCl(2)(C(13)H(14)N(2))](n), 1,3-bis-(4-pyrid-yl)propane (bpp) ligands bridge four-coordinate Co atoms, generating an extended one-dimensional zigzag chain. Both the Co and two Cl atoms in the tetrahedral coordination polyhedron lie on a mirror plane, while the bbp ligand is bis-ected through the central C atom in the chain by a second mirror plane. There are some π-π stacking inter-ations in the crystal structure, with inter-planar distances of 3.449 Å, which are responsible for the supra-molecular assembly.

| S-EPMC2961947 | biostudies-literature

catena-Poly[[(1,10-phenanthroline-κN,N')copper(I)]-μ-thiocyanato-κN:S-[(1,10-phenanthroline-κN,N')copper(I)]-μ-cyanido-κN:C].

Project description:In the title complex, [Cu(2)(CN)(NCS)(C(12)H(8)N(2))(2)], which was synthesized under hydro-thermal conditions, both Cu(I) atoms have a slightly distorted tetra-hedral geometry. They are coordinated by two N atoms of one 1,10-phenanthroline ligand, one bridging thio-cyanate anion and one bridging cyanide anion. In the crystal structure, infinite helical {Cu-CN-Cu-SCN}(n) chains are formed along [01].

| S-EPMC2959958 | biostudies-literature

catena-Poly[[nickel(II)-μ-1,3-dimethyl-2,6-dioxo-7H-purinato-κN:N] hydroxide].

Project description:The title complex, {[Ni(C(7)H(7)N(4)O(2))]OH}(n), has been prepared through hydro-thermal synthesis. The asymmetric unit contains one [Ni(TH)](+) cation (TH is the theophylline anion) and one hydroxide anion. The Ni(2+) ion is coordinated by two N atoms from two neighboring theophylline anions. The alternating linkage of the Ni(2+) cation and theophylline anion results in a one-dimensional chain along the [010] direction. Intermolec-ular O-H⋯O hydrogen bonds are present n the crystal structure.

| S-EPMC2960965 | biostudies-literature

catena-Poly[[[diaqua-(1,3-benzimidazole-κN)manganese(II)]-μ-benzene-1,3-di-carboxyl-ato-κO,O:O] dihydrate].

Project description:In the polymeric title complex, {[Mn(C(8)H(4)O(4))(C(7)H(6)N(2))(H(2)O)(2)]·2H(2)O}(n), the Mn(II) cation is coordinated by two benzene-dicarboxyl-ate anions, one benzimidazole ligand and two water mol-ecules in a distorted MnNO(5) octa-hedral geometry. In the crystal, each benzene-dicarboxyl-ate anion bridges adjacent Mn(II) cations through the terminal carboxyl-ate groups, forming a polymeric complex chain along the a axis. One Mn-O(carboxyl-ate) bond is much longer than the others. In the crystal, π-π stacking is observed between nearly parallel [dihedral angle = 4.32 (6)°] benzimidazole aromatic ring systems of adjacent mol-ecules, the centroid-centroid distance between the imidazole and benzene rings being 3.5421 (11) Å. Extensive inter-molecular O-H⋯O and N-H⋯O hydrogen bonding is present in the crystal structure. The two lattice water mol-ecules are located on twofold rotation axes.

| S-EPMC3099958 | biostudies-literature

Poly[di-?-glycinato-copper(II)]: a two-dimensional coordination polymer.

Project description:The title coordination polymer, [Cu(C(2)H(4)NO(2))(2)](n), is two-dimensional and consists of a distorted octa-hedral copper coordination polyhedron with two bidentate glycine ligands chelating the metal through the O and N atoms in a trans-square-planar configuration. The two axial coordination sites are occupied by carbonyl O atoms of neighbouring glycine mol-ecules. The Cu-O distances for the axial O atoms [2.648?(2) and 2.837?(2)?Å] are considerably longer than both the Cu-O [1.9475?(17) and 1.9483?(18)?Å] and Cu-N [1.988?(2) and 1.948?(2)?Å] distances in the equatorial plane, which indicates a strong Jahn-Teller effect. In the crystal, the two-dimensional networks are arranged parallel to (001) and are linked via N-H?O hydrogen bonds, forming a three-dimensional arrangement.

| S-EPMC3200596 | biostudies-literature

catena-Poly[[[bis-(4-bromo-benzoato-κO)zinc]-μ-1,2-bis-(4-pyrid-yl)ethene-κN:N'] acetonitrile monosolvate].

Project description:In the title coordination compound, {[Zn(C(7)H(4)BrO(2))(2)(C(12)H(10)N(2))]·CH(3)CN}(n), the Zn(II) atom is four-coordinated in a distorted tetra-hedral environment by two carboxyl-ate O atoms from two different 4-bromo-benzoate (bpe) ligands and two N atoms from two symmetry-related 1,2-bis-(4-pyrid-yl)ethene ligands. The Zn(II) atoms are bridged by the bpe ligands, which lie across centres of inversion, forming a zigzag chain along [001]. The void space of each unit cell is occupied by an acetonitrile solvent mol-ecule, which is connected to the complex mol-ecule by a weak C-H⋯N hydrogen bond.

| S-EPMC3246974 | biostudies-literature

catena-Poly[[silver(I)-?-4-aminopyridine] perchlorate]: a 1-D staircase coordination polymer.

Project description:Reaction of 4-amino-pyridine with silver(I) perchlorate leads to a one-dimensional coordination polymer, {[Ag(C(5)H(6)N(2))]ClO(4)}(n), in which the amino-pyridine binds through both N atoms. The perchlorate anion is hydrogen bonded to the amino H atoms and inter-acts weakly with the silver(I) atoms (Ag-O > 2.70?Å), both located on inversion centres, and some aromatic H atoms (O-H > 2.55?ÅA), thereby extending the dimensionality of the assembly. This is the first silver complex in which this ligand acts in a bridging mode.

| S-EPMC2983413 | biostudies-literature

catena-Poly[[[bis-(thio-urea-κS)copper(I)]-μ-thio-urea-κS:S] iodide acetonitrile hemisolvate].

Project description:The title complex, {[Cu(CH(4)N(2)S)(3)]I·0.5CH(3)CN}(n), was formed by the reaction of CuI and thio-urea in acetonitrile. There are two independent Cu(I) ions in the asymmetric unit which are coordinated by two terminal and two bridging thio-urea ligands to form a one-dimensional helical chain structure progagating in the a-axis direction. Each Cu(I) ion is in a distorted tetra-hedral coordination environment. The crystal structure is stabilized by weak N-H⋯S and N-H⋯I hydrogen bonds.

| S-EPMC2960929 | biostudies-literature

catena-Poly[{μ-cyanido-bis-[(4,4'-dimethyl-2,2'-bipyridine-κN,N')copper(I)]}-μ-cyanido-copper(I)-μ-cyanido].

Project description:In the title compound, [Cu(3)(CN)(3)(C(12)H(12)N(2))(2)], two 2,2'-bipyridine N,N'-chelated Cu(I) atoms are linked by a cyanide bridge that lies about a center of inversion; the Cu(I) atom exists in a tetra-hedral coordination geometry. This dinuclear entity is linked to another Cu(I) atom that lies on a twofold rotation axis by another cyanide bridge, these bridges giving rise to the formation of a linear chain motif.

| S-EPMC2961986 | biostudies-literature

catena-Poly[[[tetra-kis-(4-methyl-pyridine-κN)copper(II)]-μ-sulfato-κO:O'] 4.393-hydrate].

Project description:The structure of the title compound, {[Cu(SO(4))(C(6)H(7)N)(4)]·4.393H(2)O}(n), consists of Cu(2+) ions surrounded in a square-planar fashion by 4-methyl-pyridine ligands, forming two crystallographically independent Cu{H(3)C(C(5)H(4)N)}(4) units that are both located on crystallographic inversion centers. The Cu(4-methyl-pyridine)(4) units are, in turn, connected with each other via bridging sulfate anions, leading to the formation of infinite [Cu{H(3)C(C(5)H(4)N)}(4)SO(4)](n) zigzag chains along [001]. The completed coordination spheres of the Cu(2+) ions are slightly distorted octa-hedral. The axial Cu-O bonds are elongated [average length = 2.42 (4) Å] compared to the equatorial Cu-N bonds [average length = 2.043 (2) Å]. The inter-stitial space between the chains is filled with uncoordinated water mol-ecules that consolidate the structure through O-H⋯O hydrogen bonding. One of the five crystallographically independent solvent water mol-ecules is partially occupied with an occupancy factor of 0.396 (4). Due to hydrogen bonding between symmetry-equivalent water mol-ecules across inversion centers, several of the water H atoms are disordered in 1:1 ratios over mutually exclusive positions. The crystal under investigation was found to be non-merohedrally twinned in a 0.789 (1):0.211 (1) ratio by a 180° rotation around the reciprocal b axis.

| S-EPMC3051987 | 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