Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

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.

ABSTRACT: 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.

SUBMITTER: Ren Y

PROVIDER: S-EPMC4120548 | biostudies-literature | 2014 Jul

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Octa-μ3-selenido-penta-kis-(tri-ethyl-phos-phane-κP)(tri-methyl-aceto-nitrile-κN)-octa-hedro-hexa-rhenium(III) bis-(hexa-fluorido-anti-monate) tri-methyl-aceto-nitrile monosolvate.

Ren YiXin Y Bruck Andrea M AM Szczepura Lisa F LF

Acta crystallographica. Section E, Structure reports online 20140604 Pt 7

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(μ3-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. ...[more]

PMID: 25161513

Similar Datasets

?-Hexa-thio-metadiphosphato-bis-[(1,4,7,10,13,16-hexa-oxa-cyclo-octa-decane-?(6) O)rubidium] aceto-nitrile disolvate.

Project description:The asymmetric unit of the title compound, [Rb2(P2S6)(C12H24O6)2]·2CH3CN, contains one half of an [Rb(18-crown-6)2]2[P2S6] unit and one aceto-nitrile solvent mol-ecule. The [Rb(18-crown-6)]2[P2S6] unit is completed by inversion symmetry. Its Rb(+) ion is situated near the centre of the macrocyclic cavity, but is displaced by 0.8972?(1)?Å from the O atoms of the crown in the direction of the [P2S6](2-) moiety. The overall coordination number of the cation is eight, defined by the six crown ether O atoms and by two terminal S atoms of the [P2S6](2-) anion. The hexa-thio-metadiphosphate anion is built up from two tetra-hedral PS4 units joined together by a common edge. The crystal structure is characterized by alternating layers of [Rb(18-crown-6)]2[P2S6] and aceto-nitrile solvent mol-ecules stacked along [010].

| S-EPMC4004430 | biostudies-literature

Tris(aceto-nitrile-?N)dichlorido(tri-phenyl-phosphane-?P)ruthenium(II) aceto-nitrile monosolvate.

Project description:In the title complex, [RuCl2(CH3CN)3(C18H15P)]·CH3CN, the coordination geometry of the Ru(II) atom is distorted octa-hedral, defined by one P atom from a tri-phenyl-phosphane ligand, three N atoms from three aceto-nitrile ligands and two Cl atoms. The three acetronitile ligands linearly bind to the Ru(II) atom, with Ru-N-C angles of 172.6?(2), 179.9?(2) and 171.4?(2)°.

| S-EPMC3684898 | biostudies-literature

Serendipitous preparation of fac-(aceto-nitrile-κN)tri-chlorido-[(1,2,5,6-η)-cyclo-octa-1,5-diene]iridium(III).

Project description:A reaction between [(COD)IrCl]2 (COD is cyclo-octa-1,5-diene), HCl and indene failed to provide the hoped for chlorido-indenyliridium dimer, but instead produced the title compound, [IrCl3(CH3CN)(C8H12)], which is an octa-hedral complex of iridium(III) with a chelating cyclo-octa-1,5-diene ligand, three chloride ligands in a fac arrangement, and one aceto-nitrile ligand. Attempts to devise a rational synthesis for the title compound were unsuccessful.

| S-EPMC4438853 | biostudies-literature

(Aceto-nitrile-?N)iodidobis(tri-phenylphosphane-?P)copper(I).

Project description:In the mononuclear title complex, [CuI(CH3CN)(C18H15P)2], the Cu(I) ion is in a distorted tetra-hedral geometry, coordinated by two P atoms of two tri-phenyl-phosphane ligands, one N atom of an aceto-nitrile ligand and one iodide anion. The aceto-nitrile ligand is disordered over two sets of sites in a 0.629?(15): 0.371?(15) ratio. In the crystal, weak C-H?I hydrogen bonds link the mol-ecules, forming a chain along [100].

| S-EPMC4051102 | biostudies-literature

Hexa-kis-(4-acetyl-pyridinium) octa-deca-chloridotetra-anti-monate(III).

Project description:The title compound, (C(7)H(8)NO)(6)[Sb(4)Cl(18)], contains centrosymmetric hexa-anions built up from four vertex-sharing alternating SbCl(5) square-based pyramids and highly distorted SbCl(6) octa-hedra when long (<3.2 Å) 'secondary' Sb-Cl inter-actions are taken into account. The inter-polyhedral Sb-Cl bonds define a square-shape. In the crystal, the components are linked by N-H⋯Cl, C-H⋯Cl and C-H⋯O hydrogen bonds, generating a three-dimensional network.

| S-EPMC3007073 | biostudies-literature

Crystal structure of octa-μ3-selenido-(p-toluene-sulfonato-κO)penta-kis-(tri-ethyl-phosphane-κP)-octa-hedro-hexa-rhenium(III) p-toluene-sulfonate di-chloro-methane disolvate.

Project description:The title compound, [Re6Se8{O3SC6H4(CH3)}{P(C2H5)3}5](CH3C6H4SO3)·2CH2Cl2, contains the face-capped hexa-nuclear [Re6(μ3-Se)8](2+) cluster core. The [Re6Se8](2+) cluster core displays a non-crystallographic center of symmetry and is bonded through the Re(III) atoms to five tri-ethyl-phosphane ligands and one p-toluene-sulfonate ligand. One p-toluene-sulfonate counter-ion and two di-chloro-methane solvent mol-ecules are also present in the asymmetric unit. One of the ethyl chains of one triethylphos-phane ligand and one of the CH2Cl2 solvent molecules are disordered over two sets of sites (occupancy ratios 0.65:0.35 and 0.5:0.5, respectively). The Re-O(sulfon-ate) bond length of 2.123 (5) Å is similar to other Re-O bond lengths of hexa-nuclear rhenium chalcogenide clusters containing other O-donor ligands such as dimethyl sulfoxide (DMSO), di-methyl-formamide (DMF) and hydroxide.

| S-EPMC4555408 | biostudies-literature

Crystal structure of aceto-nitrile-[η(6)-1-methyl-4-(1-methyl-eth-yl)benzene][1-(pyrimidin-2-yl)-3H-indol-1-ium-2-yl-κ(2) N,C]ruthenium(II) bis-(hexa-fluorido-anti-monate).

Project description:In the title compound, [Ru(C10H14)(C12H9N3)(CH3CN)][SbF6]2, the ruthenium(II) cation is η (6)-coordinated by the para-cymene ligand with a Ru-centroid(η (6)-benzene) distance of 1.746 (2) Å. Furthermore, ruthenium coordinations to the C and N atoms of the pyrimidyl indole ligand are found to be 1.986 (4) and 2.082 (3) Å, respectively. The typical piano-stool coordination environment is saturated with an aceto-nitrile solvent mol-ecule with a Ru-N distance of 2.044 (3) Å. The indolyl ligand is protonated at the C3 position with the N=C imine bond length appropriate to that of related 3H-indole-based complexes. In the crystal, the complex cation is linked to the SbF6 (-) ions through weak C-H⋯F hydrogen bonds.

| S-EPMC4647386 | biostudies-literature

2,4,8-Trioxa-2-aza-1,3,6(1,2)-tri-benzena-2(2,3)-bicyclo-[3.3.0]octa-na-cyclo-octa-phane.

Project description:The crystal structure of the title compound, C(26)H(25)NO(3), was determined as part of an investigation of host-guest and electron donor-acceptor complexes. The oxazole and the pyrrole rings both adopt envelope conformations. The dihedral angle between the two benzene rings directly linked to the oxazole ring is 49.5 (1)°. The crystal structure is stabilized by a C-H⋯π inter-action.

| S-EPMC2968892 | biostudies-literature

{2-[(Benzylphenyl-phosphanyl-κP)methyl]phenyl-κC}iodidobis(trimethyl-phos-phane)cobalt(II).

Project description:In the title compound, [Co(C(20)H(18)P)I(C(3)H(9)P)(2)], the Co(II) atom has a distorted square-pyramidal geometry, the base of which is comprised of two trans PMe(3) groups, an I atom, and a C atom of the benzyl group. This benzyl group is tethered to the P atom at the apex of the pyramid, thereby forming a five-membered chelated Co-C-C-C-P ring.

| S-EPMC3151933 | biostudies-literature

1-[Bicyclo[4.2.0]octa-1(6),2,4-trien-3-yl]-3-[bicyclo[4.2.0]octa-1(6),2,4-trien-3-yl-methyl]imidazolium hexa-fluoro-phos-phate.

Project description:In the title compound, C(20)H(19)N(2) (+)·PF(6) (-), the two benzocyclo-butene units are essentially planar and they form dihedral angles of 38.0 (2) and 72.7 (2)°, with the central imidazolium ring. In the crystal structure, weak C-H⋯π and π--π stacking inter-actions [centroid-centroid distance = 3.742 (2) Å] contribute to the stability of the crystal structure. The PF(6) (-) ion is disordered over two positions with site occupancies of 0.869 (9) and 0.131 (9).

| S-EPMC2960209 | 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