Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Crystal structure of poly[bis(?-2-bromopyrazine)tetra-?2-cyanido-dicopper(I)iron(II)]: a bimetallic metal-organic framework.

ABSTRACT: In the title metal-organic framework, [Fe(C4H3BrN2)2{Cu(CN)2}2]n, the FeII cation is located on an inversion center and has a slightly elongated octahedral coordination environment [FeN6], ligated by two pyrazine N atoms of symmetry-related bridging 2-bromopyrazine molecules in the axial positions and by four N atoms of pairs of symmetry-related cyanido groups in the equatorial positions. The CuI center has a fourfold coordination environment [CuC3N], with an almost perfect trigonal–pyramidal geometry, formed by three cyanido C atoms and an N atom of a bridging 2-bromopyrazine molecule. Copper(I) centers related by a twofold rotation axis are bridged by two carbon atoms from a pair of ?-CN groups, resulting in Cu2(CN)2 units. Each Cu2(CN)2 unit is linked to six FeII cations via a pair of linear CN units, the pair of ?-CN groups and two bridging 2-bromopyrazine ligands, resulting in the formation of a metal–organic framework, which is additionally stabilized by the short Cu?Cu contacts of 2.4450?(7)?Å.

SUBMITTER: Kucheriv OI

PROVIDER: S-EPMC6281090 | biostudies-other | 2018 Dec

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Similar Datasets

Crystal structure of poly[tetra-?-cyanido-ethanol-bis(2-iodo-pyrazine)-digold(I)iron(II)].

Project description:In the title polymeric complex, [Au2Fe(CN)4(C4H3IN2)2(C2H6O)] n , the FeII cation is coordinated by two iodo-pyrazine mol-ecules, one ethanol mol-ecule and three di-cyano-aurate anions in a distorted N5O octa-hedral geometry. In the crystal, the di-cyano-aurate anions bridge the FeII cations to form polymeric chains propagating along the b-axis direction. Stabilization of the crystal structure is provided by O-H?N hydrogen bonds and ?-? stacking between parallel iodo-pyrazine rings of neighbouring chains, the centroid-centroid distances being 3.654?(10) and 3.658?(9)?Å.

| S-EPMC5683507 | biostudies-literature

Crystal structure of poly[[di-aqua-tetra-μ2-cyanido-iron(II)platinum(II)] acetone disolvate].

Project description:In the title polymeric complex, {[FePt(CN)4(H2O)2]·2C3H6O} n , the FeII cation has an octa-hedral [FeN4O2] geometry being coordinated by two water mol-ecules and four cyanide anions. The Pt cation is located on an inversion centre and has a square-planar coordination environment formed by four cyanide groups. The tetra-cyano-platinate anions bridge the FeII cations to form infinite two-dimensional layers that propagate in the bc plane. Two guest mol-ecules of acetone per FeII are located between the layers. These guest acetone mol-ecules inter-act with the coordinated water mol-ecules by O-H⋯O hydrogen bonds.

| S-EPMC6775733 | biostudies-literature

Crystal structure of a low-spin poly[di-μ3-cyanido-di-μ2-cyanido-bis-(μ2-2-ethyl-pyrazine)-dicopper(I)iron(II)].

Project description:In the title metal-organic framework, [Fe(C6H8N2)2{Cu(CN)2}2] n , the low-spin FeII ion lies at an inversion centre and displays an elongated octa-hedral [FeN6] coordination environment. The axial positions are occupied by two symmetry-related bridging 2-ethyl-pyrazine ligands, while the equatorial positions are occupied by four N atoms of two pairs of symmetry-related cyanide groups. The CuI centre is coordinated by three cyanide carbon atoms and one N atom of a bridging 2-ethyl-pyrazine mol-ecule, which form a tetra-hedral coordination environment. Two neighbouring Cu atoms have a short Cu⋯Cu contact [2.4662 (7) Å] and their coordination tetra-hedra are connected through a common edge between two C atoms of cyanide groups. Each Cu2(CN)2 unit, formed by two neighbouring Cu atoms bridged by two carbons from a pair of μ-CN groups, is connected to six FeII centres via two bridging 2-ethyl-pyrazine mol-ecules and four cyanide groups, resulting in the formation of a polymeric three-dimensional metal-organic coordination framework.

| S-EPMC6690451 | biostudies-literature

Metal-organic framework crystal-glass composites.

Project description:The majority of research into metal-organic frameworks (MOFs) focuses on their crystalline nature. Recent research has revealed solid-liquid transitions within the family, which we use here to create a class of functional, stable and porous composite materials. Described herein is the design, synthesis, and characterisation of MOF crystal-glass composites, formed by dispersing crystalline MOFs within a MOF-glass matrix. The coordinative bonding and chemical structure of a MIL-53 crystalline phase are preserved within the ZIF-62 glass matrix. Whilst separated phases, the interfacial interactions between the closely contacted microdomains improve the mechanical properties of the composite glass. More significantly, the high temperature open pore phase of MIL-53, which spontaneously transforms to a narrow pore upon cooling in the presence of water, is stabilised at room temperature in the crystal-glass composite. This leads to a significant improvement of CO2 adsorption capacity.

| S-EPMC6561910 | biostudies-literature

Bimetallic Metal-Organic Framework Derived Metal-Carbon Hybrid for Efficient Reversible Oxygen Electrocatalysis.

Project description:Development of cost-effective electrocatalysts for oxygen reduction reaction (ORR) and oxygen evolution reaction (OER) is key to enabling advanced electrochemical energy conversion technologies. Here, a novel nitrogen-doped metal-carbon hybrid (NiCo/CN) with a unique 3D hierarchical structure, consisting of uniformly distributed bimetallic nanoparticles encapsulated by partially graphitized N-doped carbon shells, is fabricated by a one-step pyrolysis of a nanoscale metal-organic framework as precursor, which exhibits excellent activity for both ORR and OER. The surface chemical changes on the carbon hybrid probed by X-ray photoelectron spectroscopy (XPS) reveal the presence of favorable electronic interaction at the metal-nitrogen-carbon interface. Remarkably, the NiCo/CN catalyst prepared at high temperature (800°C) manifests a comparable performance to a commercial Pt/C catalyst for the ORR, but also superior stability, path selectivity and methanol tolerance. On the other hand, the E onset (1.48 V vs. reversible hydrogen electrode) and E j = 10 mA/cm 2 of NiCo/CN-800 for OER is very close to the state-of-the-art noble catalyst RuO2 (Eonset = 1.46 and E j = 10 mA/cm 2 ) along with superior stability over 20 h of operation. The excellent catalytic property is attributable to the unique nanostructure, high porosity and the constructive synergistic effects of the elements M, N, and C.

| S-EPMC6856206 | biostudies-literature

Discrete water clusters in tetra-?-cyanido-tetra-cyanidobis(1,4,7-triisopropyl-1,4,7-triaza-cyclo-nona-ne)dicopper(II)dinickel(II) tetra-hydrate.

Project description:The title tetra-cyanido-nickelate-copper complex, [Cu?Ni?(CN)?(C??H??N?)?]·4H?O, was synthesized by self-assembly using potassium tetracyanidonickelate(II) and dichlorido(1,4,7-triisopropyl-1,4,7-triazacyclononane)copper(II). The asymmetric unit contains half of a complex mol-ecule and two water mol-ecules. The entire complex has -1 symmetry and contains Ni(II) in a slightly distorted square-planar and Cu(II) in a square-pyramidal coordination environment. The crystal packing shows a discrete tetra-mer water cluster. Within the cluster, the four water mol-ecules are fully coplanar and each water monomer acts both as single O-H?O and O-H?N hydrogen-bond donor and acceptor.

| S-EPMC3393158 | biostudies-literature

Crystal structure of catena-poly[[gold(I)-μ-cyanido-[di-aqua-bis-(2-phenyl-pyrazine)-iron(II)]-μ-cyanido] dicyanidogold(I)].

Project description:In the title polymeric complex, {[Fe(CN)2(C10H8N2)2(H2O)2][Au(CN)2]} n , the FeII ion, which is located on a twofold rotation axis, has a slightly distorted FeN4O2 octa-hedral geometry. It is coordinated by two phenyl-pyrazine mol-ecules, two water mol-ecules and two di-cyano-aurate anions, the Au atom also being located on a second twofold rotation axis. In the crystal, the coordinated di-cyano-aurate anions bridge the FeII ions to form polymeric chains propagating along the b-axis direction. In the crystal, the chains are linked by Owater-H⋯Ndi-cyano-aurate anions hydrogen bonds and aurophillic inter-actions [Au⋯Au = 3.5661 (3) Å], forming layers parallel to the bc plane. The layers are linked by offset π-π stacking inter-actions [inter-centroid distance = 3.643 (3) Å], forming a supra-molecular metal-organic framework.

| S-EPMC6690477 | biostudies-literature

Poly[[diaquadi-?(2)-cyanido-bis-(?(2)-pyrazine-2-carboxyl-ato)dicopper(I)copper(II)] dihydrate].

Project description:In the title compound, {[Cu(II)Cu(I) (2)(C(5)H(3)N(2)O(2))(2)(CN)(2)(H(2)O)(2)]·2H(2)O}(n), the Cu(II) atom lies on an inversion centre and is octa-hedrally coordinated by two N atoms and two O atoms from opposing pyrazine-2-carboxyl-ate (2-pac) ligands and two water O atoms. The Cu(I) atom has a triangular geometry, coordinated by one N atom and one C atom from two bridging cyanide ligands, and another N atom from the 2-pac ligand. The three-dimensional structure features a succession of two-dimensional sheets containing [Cu(CN)](n) chains linked by Cu(2-pac)(2)(H(2)O)(2) groups. The coordinated and free water mol-ecules are involved in an extended three-dimensional hydrogen-bond network with the 2-pac ligands.

| S-EPMC3152133 | biostudies-literature

Crystal structure of a two-dimensional grid-type iron(II) coordination polymer: poly[[di-aqua-tetra-?-cyanido-diargentate(I)iron(II)] trans-1,2-bis(pyridin-2-yl)ethyl-ene disolvate].

Project description:In the title compound, {[Ag2Fe(CN)4(H2O)2]·2C12H10N2} n , the asymmetric unit contains one Fe(II) cation, two water mol-ecules, two di-cyanido-argentate(I) anions and two uncoordinating 1,2-bis-(pyridin-2-yl)ethyl-ene (2,2'-bpe) mol-ecules. Each Fe(II) atom is six-coordinated in a nearly regular octa-hedral geometry by four N atoms from di-cyanido-argentate(I) bridges and two coordinating water mol-ecules. The Fe(II) atoms are bridged by di-cyanido-argentate(I) units to give a two-dimensional layer with square-grid spaces. The inter-grid spaces with inter-layer distance of 6.550?(2)?Å are occupied by 2,2'-bpe guest mol-ecules which form O-H?N hydrogen bonds to the host layers. This leads to an extended three-dimensional supra-molecular architecture. The structure of the title compound is compared with some related compounds containing di-cyanido-argentate(I) ligands and N-donor organic co-ligands.

| S-EPMC4158491 | biostudies-literature

Poly[[hexa-?-cyanido-manganese(II)iron(III)] penta-hydrate].

Project description:The structure of the title compound, Mn(II)[Fe(III)(CN)(6)](2/3)·5H(2)O, features a face-centered cubic -Mn-NC-Fe- framework with both Mn and Fe having site symmetry mm. Since one-third of the [Fe(CN)(6)](3-) units are missing for a given formula in order to maintain charge neutrality, each Mn atom around such a vacancy is coordinated not only by the N atoms of the CN groups but also by the O atoms of the ligand water mol-ecules. In addition to ligand water mol-ecules, two types of non-coordinated water mol-ecules, so-called zeolitic water mol-ecules, exist in the inter-stitial sites of the -Mn-NC-Fe- framework. The positions of the O atoms of the zeolitic water mol-ecules are fixed by the linkage via hydrogen bonds between ligand water and zeolitic water mol-ecules. The structure is related to a recently reported rubidium manganese hexa-cyano-ferrate. Site occupancy factors for Fe, C, N are 0.67; for two O atoms the value is 0.83 and for one O atom is 0.17.

| S-EPMC2960286 | biostudies-literature