Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Bis{4'-[(2,3,5,6,8,9,11,12-octa-hydro-1,4,7,10,13-benzopenta-oxacyclo-penta-decin-15-yl)meth-oxy]-2,2':6',2''-terpyridine}cadmium(II) bis-(hexa-fluorido-phosphate) trihydrate: a powder study.

ABSTRACT: The asymmetric unit of the title compound, [Cd(C(30)H(31)N(3)O(6))(2)](PF(6))(2)·3H(2)O, contains one half-cation with the Cd(II) center situated on a twofold rotational axis, one hexa-fluoridophosphate anion and two uncoordinated water mol-ecules, one of which is also situated on a twofold rotational axis. The cations are associated into columns along the a axis through ?-? inter-actions between the pyridine and benzene rings, with a centroid-centroid distance of 3.72?(5)?Å. Inter-molecular O-H?O, C-H?O and C-H?F hydrogen bonds consolidate the crystal packing.

SUBMITTER: Kurochkina NM

PROVIDER: S-EPMC2971444 | biostudies-literature | 2009 Oct

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Bis{4'-[(2,3,5,6,8,9,11,12-octa-hydro-1,4,7,10,13-benzopenta-oxacyclo-penta-decin-15-yl)meth-oxy]-2,2':6',2''-terpyridine}cadmium(II) bis-(hexa-fluorido-phosphate) trihydrate: a powder study.

Kurochkina Nadezhda M NM Kuzovlev Andrey S AS Puryaeva Tamara P TP Velikodny Yurii A YA Chernyshev Vladimir V VV

Acta crystallographica. Section E, Structure reports online 20091010 Pt 11

The asymmetric unit of the title compound, [Cd(C(30)H(31)N(3)O(6))(2)](PF(6))(2)·3H(2)O, contains one half-cation with the Cd(II) center situated on a twofold rotational axis, one hexa-fluoridophosphate anion and two uncoordinated water mol-ecules, one of which is also situated on a twofold rotational axis. The cations are associated into columns along the a axis through π-π inter-actions between the pyridine and benzene rings, with a centroid-centroid distance of 3.72 (5) Å. Inter-molecular O-H ...[more]

PMID: 21578105

Similar Datasets

Diaqua-(1,4,7,10,13-penta-oxacyclo-penta-deca-ne)iron(II) bis-(μ-cis-1,2-dicyano-1,2-ethyl-enedithiol-ato)bis-[(cis-1,2-dicyano-1,2-ethyl-enedithiol-ato)ferrate(III)] 1,4,7,10,13-penta-oxacyclo-penta-decane disolvate.

Project description:The title compound, [Fe(C(10)H(20)O(5))(H(2)O)(2)][Fe(2)(C(4)N(2)S(2))(4)]·2C(10)H(20)O(5), consists of an [Fe(II)(15-crown-5)(H(2)O)(2)](2+) cation, sandwiched between and O-H⋯O hydrogen bonded by two additional 15-crown-5 ether mol-ecules and two independent [Fe(III)(mnt)(2)](-) anions, where 15-crown-5 ether denotes 1,4,7,10,13-penta-oxacyclo-penta-decane and mnt denotes cis-1,2-dicyano-1,2-ethyl-enedithiol-ate. Each independent [Fe(III)(mnt)(2)](-) unit forms a centrosymmetric dimer supported by two inter-monomer Fe(III)-S bonds [Fe-S = 2.4715 (9) and 2.4452 (9) Å]. In the crystal structure, the dimers form one-dimensional π-π stacks along the a axis, with an inter-planar separation of 3.38 (6) Å.

| S-EPMC2959872 | biostudies-literature

Diaqua-dichloridomethyl-phenyl-tin(IV)-1,4,7,10,13-penta-oxacyclo-penta-decane (1/1).

Project description:The asymmetric unit of the title cocrystal, [Sn(CH(3))(C(6)H(5))Cl(2)(H(2)O)(2)]·C(10)H(20)O(5), contains two independent for-mula units. The organotin molecules exhibit a six-coordinate metal atom and are linked to the crown ether molecules by water-crown ether O-H⋯O hydrogen bonds into a linear chain running along [101]. Each coordinated water mol-ecule forms a pair of hydrogen bonds to the same crown ether; for the crown ether mol-ecules, only four of the five O atoms are engaged in hydrogen-bonding inter-actions. The metal ions show a distorted trans-C(2)SnCl(2)O(2) octa-hedral coordination geometry [C-Sn-C = 175.3 (1) and 178.9 (1)°].

| S-EPMC3274929 | biostudies-literature

Di-?-chlorido-bis-[aqua-chloridodimethyl-tin(IV)]-1,4,7,10,13-penta-oxacyclo-penta-decane (1/1).

Project description:The Sn, Cl and water O atoms of the title compound, [Sn(2)(CH(3))(4)Cl(4)(H(2)O)(2)]·C(10)H(20)O(5), lie on a special position of 2 site symmetry. The Sn(IV) atom shows cis-C(2)SnCl(2)O trigonal-bipyramidal coordination [C-Sn-C = 157.0?(1)°]; however, two [Me(2)SnCl(2)(H(2)O)] units are linked by a tin-chlorine bridge [Sn?Cl = 3.247?(1)?Å] across a center of inversion, generating a dinuclear species, so that the geometry is better regarded as a mer-C(2)SnCl(3)O octa-hedron. The crown ether inter-acts through O-H?O hydrogen with the metal atom through the coordinated water mol-ecules in an outer-sphere manner, generating a hydrogen-bonded chain running along [101]. The 15-crown-5 mol-ecule is disordered over the 2/m site.

| S-EPMC3343780 | biostudies-other

Bis[?-1-hexyl-3-(2,3,5,6,8,9,11,12-octa-hydro-1,4,7,10,13-benzopenta-oxacyclo-penta-decin-15-yl)urea]bis-(azido-sodium) chloro-form disolvate.

Project description:In the title compound, [Na(2)(N(3))(2)(C(21)H(34)N(2)O(6))(2)]·2CHCl(3), the sodium cation is hepta-coordinated by five O atoms of the crown ether unit of the 1-hexyl-3-(2,3,5,6,8,9,11,12-octa-hydro-1,4,7,10,13-benzopenta-oxacyclo-penta-decin-15-yl)urea (L) ligand, the O atom of the urea group of the second, symmetry-related L ligand, and one N atom of the azide anion. The experimentally determined distance 2.472?(2)?Å between the terminal azide N atom and the sodium cation is substanti-ally longer than that predicted from density functional theory (DFT) calculations (2.263?Å). The crown ethers complexing the sodium cation are related by an inversion centre and form dimers. The urea groups of the two L ligands are connected in a head-to-tail fashion by classical N-H?N hydrogen-bonding inter-actions and form a ribbon-like structure parallel to the b axis. Parallel ribbons are weakly linked through C-H?N, C-H?O and C-H?? inter-actions.

| S-EPMC3344347 | biostudies-other

Crystal structure of bis-(propane-1,3-di-ammonium) hexa-fluorido-aluminate fluoride trihydrate.

Project description:The title compound, (C3H10N2)2[AlF6]F·3H2O, was obtained using the solvothermal method with aluminium hydroxide, HF and propane-1,3-di-amine as precursors in ethanol as solvent. The structure consists of isolated [AlF6](3-) octa-hedra, diprotonated propane-1,3-di-amine cations [(H2dap)(2+)], free fluoride ions and water mol-ecules of solvation. The Al-F bond lengths in the octa-hedral [AlF6](3-) anions range from 1.7690 (19) to 1.8130 (19) Å, with an average value of 1.794 Å. Each [AlF6](3-) anion is surrounded by three water mol-ecules and by six diprotonated amine cations. The 'free' fluoride ion is hydrogen bonded to four H atoms belonging to four dications and has a distorted tetra-hedral geometry. The three water mol-ecules are connected by hydrogen bonds, forming trimers that connect the AlF6 octa-hedra and dications into a three-dimensional framework.

| S-EPMC4186155 | biostudies-literature

Octa-?3-selenido-penta-kis-(tri-ethyl-phos-phane-?P)(tri-methyl-aceto-nitrile-?N)-octa-hedro-hexa-rhenium(III) bis-(hexa-fluorido-anti-monate) tri-methyl-aceto-nitrile monosolvate.

Project description:The crystal structure of the title compound, [Re6Se8{NCC(CH3)3}(Et3P)5](SbF6)2·NCC(CH3)3, contains a face-capped octa-hedral [Re6(?3-Se)8](2+) cluster core. The pseudo-centrosymmetric [Re6Se8](2+) cluster core is bonded through the Re atoms to five tri-ethyl-phosphane ligands and one tri-methyl-aceto-nitrile ligand. No significant interactions are observed between the cationic cluster, the SbF6 (-) anions and the trimethylacetonitrile solvent molecule.

| S-EPMC4120548 | biostudies-literature

Crystal structure of μ-fluorido-bis-{(η(4)-cyclo-octa-diene)[hexa-fluorido-anti-monato(V)]platinum(II)} hexa-fluorido-anti-monate(V) hydrogen fluoride 0.75-solvate.

Project description:In the complex cation of the binuclear solvated title salt, [Pt2F(SbF6)2(C8H12)2]SbF6·0.75HF, an F atom bridges the two platinum(II) atoms with a bond angle of 123.3 (2)°. The corresponding Pt-F bond lengths are in the range of other fluorine-bridged binuclear platinum(II) complexes. Two of the three SbF6 (-) anions each coordinate with one F atom to one platinum(II) atom. Including the η(4)-bound cyclo-octa-diene (COD) ligands, the overall coordination sphere of each platinum(II) atom is square-planar. The third SbF6 (-) anion is not bound to the complex. Hydrogen fluoride is present in the crystal structure as a solvent disordered over three positions, each with an occupancy of 0.25. F⋯F distances of 2.5512 (7), 2.6076 (8) and 3.2215 (10) Å to surrounding SbF6 (-) anions are indicative of F-H⋯F hydrogen-bonding inter-actions although no H atoms could be localized for the disordered solvent mol-ecules. The resulting hydrogen-bonded network is three-dimensional.

| S-EPMC4704745 | biostudies-literature

fac-Aqua-(2-carboxy-ethyl-?C,O)trichlorido-tin(IV)-1,4,7,10,13-penta-oxacyclo-penta-deca-ne-water (1/1/2).

Project description:In the title compound, [Sn(C(3)H(5)O(2))Cl(3)(H(2)O)]·C(10)H(20)O(5)·2H(2)O, the Sn(IV) atom is octa-hedrally coordinated within a fac-CO(2)Cl(3) donor set, arising from the C,O-bidentate carboxy-ethyl ligand, a water mol-ecule and three chloride ligands. In the crystal, supra-molecular chains linked by O-H?O hydrogen bonds propagate along the c axis These chains are connected into layers in the ac plane via C-H?O inter-actions.

| S-EPMC2979106 | biostudies-literature

Tris[(1,4,7,10,13,16-hexa-oxacyclo-octa-deca-ne)rubidium] heptaantimonide-ammonia (1/4).

Project description:The crystal structure of the title compound, [Rb(C(12)H(24)O(6))](3)[Sb(7)]·4NH(3), fills the gap between the already known Zintl anion ammoniates {[Cs(18-crown-6)](3)Sb(7)}(2)·9NH(3) [Wiesler (2007 ▶). Dissertation, Universität Regensburg, Germany] and [K(18-crown-6)](3)Sb(7)·4NH(3) [Hanauer (2007 ▶). Dissertation, Universität Regensburg, Germany]. As in the two known compounds, the anti-mony cage anion in this crystal structure is coordinated by three alkali cations. The coordination spheres of each of the cations are saturated by 18-crown-6 mol-ecules. The ammonia mol-ecules of crystallization are situated between the crown ethers. The neutral, mol-ecular [Rb(18-crown-6)](3)Sb(7) units are inter-connected by multiple dipole-dipole interactions between ammonia and 18-crown-6.

| S-EPMC3246972 | 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