Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Poly[[diaqua-deca-?-cyanido-hexa-cyanidobis-(4-cyano-pyridine)di-?-pyrimidine-tricopper(II)ditungsten(V)] dihydrate].

ABSTRACT: In the polymeric title compound, {[Cu(3)W(2)(CN)(16)(C(4)H(4)N(2))(2)(C(6)H(4)N(2))(2)(H(2)O)(2)]·2H(2)O}(n), the coordination geometry of W is an eight-coordinated bicapped trigonal prism. Five of the CN groups of [W(CN)(8)] are bridged to Cu ions. The coordination geometries of the Cu atoms are each pseudo-octa-hedral; one Cu atom is located on a centre of inversion. The cyano-bridged W-Cu layers are linked by Cu-containing pillars, to form a three-dimensional network with cavities occupied by noncoordinated water and 4-cyano-pyridine mol-ecules.

SUBMITTER: Kaneko S

PROVIDER: S-EPMC2959564 | biostudies-literature | 2008 Oct

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Poly[[diaqua-deca-μ-cyanido-hexa-cyanidobis-(4-cyano-pyridine)di-μ-pyrimidine-tricopper(II)ditungsten(V)] dihydrate].

Kaneko Souhei S Tsunobuchi Yoshihide Y Nakabayashi Koji K Ohkoshi Shin-Ichi S

Acta crystallographica. Section E, Structure reports online 20081018 Pt 11

In the polymeric title compound, {[Cu(3)W(2)(CN)(16)(C(4)H(4)N(2))(2)(C(6)H(4)N(2))(2)(H(2)O)(2)]·2H(2)O}(n), the coordination geometry of W is an eight-coordinated bicapped trigonal prism. Five of the CN groups of [W(CN)(8)] are bridged to Cu ions. The coordination geometries of the Cu atoms are each pseudo-octa-hedral; one Cu atom is located on a centre of inversion. The cyano-bridged W-Cu layers are linked by Cu-containing pillars, to form a three-dimensional network with cavities occupied by ...[more]

PMID: 21580882

Similar Datasets

Poly[[di-aqua-deca-μ2-cyanido-κ(20) C:N-hexa-cyanido-κ(6) C-bis-(μ2-5-methyl-pyrimidine-κ(2) N:N')bis-(5-methyl-pyrimidine-κN)tricopper(II)ditungstate(V)] dihydrate].

Project description:In the title complex, {[Cu3[W(CN)8]2(C5H6N2)4(H2O)2]·2H2O} n , the coordination polyhedron of the eight-coordinated W(V) atom is a bicapped trigonal prism, in which five CN groups are bridged to Cu(II) ions, and the other three CN groups are terminally bound. Two of the Cu(II) ions lie on a centre of inversion and each of the three independent Cu(II) cations is pseudo-octahedrally coordinated. In the crystal structure, cyanido-bridged-Cu-W-Cu layers are linked by pillars involving the third independent Cu(II) ion, generating a three-dimensional network with non-coordinating water mol-ecules and 5-methyl-pyrimidine mol-ecules. O-H⋯O and O-H⋯N hydrogen bonds involve the coordinating and non-coordin-ating water mol-ecules, the CN groups and the 5-methyl-pyrimidine mol-ecules.

| S-EPMC3998256 | biostudies-literature

Poly[[diaqua-hexa-?-cyanido-cerium(III)ferrate(III)] dihydrate].

Project description:In the structure of the title complex, {[CeFe(CN)(6)(H(2)O)(2)]·2H(2)O}(n), the Ce(III) and Fe(III) atoms exhibit square anti-prismatic [CeN(6)(H(2)O)(2)] (site symmetry m2m) and octahedral [FeC(6)] (site symmetry 2/m) coordination geometries, respectively. The metal atoms are linked alternately through the cyanide groups, forming a three-dimensional framework in which the {Ce(2)Fe(2)(CN)(4)} puckered square unit is the basic building block. The crystal packing is enforced by O-H?O and O-H?N hydrogen bonds, including the uncoordinated water molecule which is located on a mirror plane.

| S-EPMC3344291 | biostudies-literature

Poly[[hexa-μ-aqua-diaqua-bis-(μ₄-dihydrogen benzene-1,2,4,5-tetra-carboxyl-ato)magnesiumdisodium] dihydrate].

Project description:The asymmetric unit of the title compound, {[MgNa₂(C₁₀H₄O₈)₂(H₂O)₈]·2H₂O}(n), contains one octa-hedrally coordin-ated Mg(II) atom (site symmetry 2/m), one octahedrally coordinated Na(I) atom (site symmetry 2) and one half of the dihydrogen benzene-1,2,4,5-tetra-carboxyl-ate (btec) ligand, the second half of the ligand being generated by a twofold rotation axis. The basic framework of the title compound features infinite (-Na-Na-Mg-)(n) chains along [10-1] with the metal cations bridged by the coordinating water molecules. The chains are isolated from each other by μ₄-bridging btec ligands, which form inter-molecular O-H⋯O hydrogen bonds to uncoordinated water mol-ecules and the coordinated water mol-ecules of a neighbouring chain. In each btec ligand, there are also intramolecular O-H⋯O hydrogen bonds.

| S-EPMC3393174 | biostudies-literature

Bis{deca-carbonyl-bis-[μ-2,2'-(phenyl-imino)-diethano-lato]ditin(II)ditungsten(0)(2 Sn-W)} hexa-carbonyl-tungsten(0).

Project description:In the title 2:1 adduct, [Sn(2)W(2)(C(10)H(13)NO(2))(2)(CO)(10)](2)[W(CO)(6)], the complete hexa-carbonyl-tungsten mol-ecule is generated by a crystallographic inversion centre. The heterometallic mol-ecule features a central Sn(2)O(2) core with essentially equal Sn-O(eth-oxy) bond lengths. The second eth-oxy O and amine N atoms of each N,O,O'-tridentate ligand coordinate to one Sn atom only. The NO(3) donor atoms occupy basal positions and the W atom the apical position in a distorted square-pyramidal geometry for each Sn atom. The W atoms are approximately syn to each other but the central metal core is non-planar [W-Sn⋯Sn-W pseudo-torsion angle = 43.573 (16)°]. One of the carbonyl ligands in the heterometallic mol-ecule is disordered over two orientations with equal occupancies. In the crystal, the heterometallic mol-ecules associate via C-H⋯O inter-actions, forming supra-molecular layers with undulating topology in the ab plane. These stack along the c axis, defining voids which are occupied by the W(CO)(6) mol-ecules.

| S-EPMC2979617 | biostudies-literature

Poly[tetra-μ(1,1)-azido-bis-(μ(2)-pyrimidine-2-carboxyl-ato)tricopper(II)].

Project description:In the title compound, [Cu(3)(C(5)H(3)N(2)O(2))(2)(N(3))(4)](n), one of the Cu(II) atoms lies on an inversion centre and is octa-hedrally coordinated by two bidentate chelating pyrimidine-2-carboxyl-ate ligands and two azide anions, each of which gives an N:N-bridge to the second inversion-related Cu(II) centre in the formula unit. The second Cu(II) atom is five-coordinated with a distorted square-pyramidal coordination sphere comprising a single bidentate chelating pyrimidine-2-carboxyl-ate anion and three azide N anions, two of which doubly bridge centrosymmetric Cu(II) centres, giving a two-dimensional network structure extending parallel to (010).

| S-EPMC3007223 | biostudies-literature

Poly[bis[3,10-bis(2-hydroxyethyl)-1,3,5,8,10,12-hexa-azacyclo-tetra-deca-ne]tetra-μ-cyanido-tetracyanidodicopper(II)molybdenum(IV)] tetra-hydrate].

Project description:In the title complex, {[Cu(2)Mo(CN)(8)(C(12)H(30)N(6)O(2))(2)]·4H(2)O}(n), the polyhedron around Mo has site symmetry with a distorted square-antiprismatic shape, while the Cu atom (2 symmetry) is in a distorted axially elongated octa-hedral coordination environment. The uncoordinated water molecule is disordered over three sites with occupancies of 0.445 (7), 0.340 (7) and 0.215 (7). Mo and Cu atoms acting as basic components are connected by an Mo-CN-Cu-NC-Mo- linkage to form a distorted diamond-like network. Additional hydrogen bonding between the N-H groups and the water molecules stabilizes this arrangement.

| S-EPMC2959912 | biostudies-literature

Poly[[diaqua-μ(4)-tartrato-μ(2)-tartrato-dimanganese(II)] dihydrate].

Project description:In the title compound, {[Mn(C(4)H(4)O(6))(H(2)O)]·H(2)O}(n), the Mn(2+) ion is connected to three different tartrate anions and a water mol-ecule, resulting in a distorted MnO(6) octa-hedral geometry. There are two tartrate half-anions in the asymmetric unit, both of which are completed by crystallographic twofold rotation symmetry. The tartrate dianions bridge the Mn(2+) ions to form a wave-like infinite layer. A series of O-H⋯O hydrogen bonds link the layers into a three-dimensional network.

| S-EPMC2960245 | biostudies-literature

Poly[[tri-μ-cyanido-cyanido(1,4,10,13-tetra-oxa-7,16-diaza-cyclo-octa-deca-ne)barium(II)platinum(II)] hemihydrate].

Project description:The title compound, {[BaPt(CN)(4)(C(12)H(26)N(2)O(4))]·0.5H(2)O}(n), is a two-dimensional coordination polymer in which the sheets are oriented approximately parallel to the (01) set of crystal planes. In the crystal structure, disordered water mol-ecules (half occupancy) connect the sheets into a three-dimensional network via inter-molecular O-H⋯O hydrogen bonds. An N-H⋯N inter-action is also present. The shortest Pt⋯Pt contacts are 7.5969 (4) Å by an inversion relationship and 7.6781 (4) Å by translation along the a axis.

| S-EPMC2968926 | biostudies-literature

Bis(μ-hexa-deca-noato-κO:O)bis-[(2,2'-bipyridine-κN,N')(hexa-deca-noato-κO)copper(II)] methanol disolvate.

Project description:The asymmetric unit of the title compound, [Cu(2)(C(16)H(31)O(2))(4)(C(10)H(8)N(2))(2)]·2CH(3)OH, contains one half-mol-ecule of the metal complex solvated by a methanol mol-ecule. In the complex, two of the metal atoms are doubly bridged by two monodentate bridging hexa-deca-noate ligands around a center of inversion. The square-pyramidal geometry around each Cu(II) ion is completed by a terminal hexa-deca-noate O atom and two N atoms from a 2,2'-bipyridine ligand. The alkyl chains of the carboxyl-ate ligands are arranged in a parallel manner with an all-trans conformation. In the crystal, a π-π inter-action formed by the bipyridine rings [centroid-centroid separation = 3.7723 (17) Å] and inter-molecular C-H⋯O hydrogen bonds link the complex mol-ecules into infinite chains along the b axis. An O-H⋯O interaction between the methanol solvate and one of the carboxylate O atoms is also observed.

| S-EPMC3089362 | biostudies-literature

Bromido(1,4,7,10,13-penta-aza-cyclo-hexa-deca-ne)cobalt(III) dibromide dihydrate.

Project description:The title salt, [CoBr(C11H27N5)]Br2·2H2O, contains a complex cation with mirror symmetry and two Br(-) counter-anions that are likewise located on the mirror plane. The central Co(III) atom of the complex cation has one Br(-) ion in an axial position, one N atom of the penta-dentate macrocyclic ligand in the other axial position and four N atoms of the ligand in equatorial positions, defining a distorted octa-hedral coordination geometry. The macrocyclic ligand is coordinated to the Co(III) atom within a 5, 6, 5 arrangement of chelate rings in the equatorial plane of the four N atoms. Due to symmetry, the configuration of the chiral N atoms is 1RS, 4SR, 10RS, 13SR. In the crystal, N-H⋯Br, O-H⋯Br and N-H⋯O hydrogen bonds between the complex cation, anions and lattice water mol-ecules generate a three-dimensional network.

| S-EPMC3629467 | 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