Browse
Submit Data
Databases
API
Help

Dataset Information

24 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Fac-Bis(acetonitrile-?N)tricarbonyl-(trifluoro-acetato-?O)rhenium(I).

ABSTRACT: In the title compound, [Re(CF(3)COO)(CH(3)CN)(2)(CO)(3)], the Re atom has a distorted octa-hedral configuration. The two acetonitrile mol-ecules and two of the three carbonyl groups occupy the equatorial plane of the complex, with the third carbonyl ligand and the trifluoroacetato ligand in the axial positions. The three carbonyl ligands are arranged in a fac configuration around the Re atom. The CF(3) segment of the trifluoroacetato ligand shows rotational disorder and the refined site-occupancy factors of the disordered parts are ca 0.5/0.5. The crystal structure is stabilized by C-H?O and C-H?F hydrogen bonds.

SUBMITTER: Kia R

PROVIDER: S-EPMC2959409 | biostudies-literature | 2008 Sep

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

fac-Bis(acetonitrile-κN)tricarbonyl-(trifluoro-acetato-κO)rhenium(I).

Kia Reza R Fun Hoong-Kun HK

Acta crystallographica. Section E, Structure reports online 20080924 Pt 10

In the title compound, [Re(CF(3)COO)(CH(3)CN)(2)(CO)(3)], the Re atom has a distorted octa-hedral configuration. The two acetonitrile mol-ecules and two of the three carbonyl groups occupy the equatorial plane of the complex, with the third carbonyl ligand and the trifluoroacetato ligand in the axial positions. The three carbonyl ligands are arranged in a fac configuration around the Re atom. The CF(3) segment of the trifluoroacetato ligand shows rotational disorder and the refined site-occupanc ...[more]

PMID: 21201050

Similar Datasets

Hexaaqua-iron(II) bis-[fac-tribromido-tricarbonyl-ferrate(II)].

Project description:In the title compound, [Fe(H(2)O)(6)][FeBr(3)(CO)(3)](2), both Fe atoms have an octa-hedral coordination and the bromide carbonyl complex has a fac-stereochemistry. The [Fe(H(2)O)(6)](2+) octa-hedron has point symmetry and is slightly compressed along one O-Fe-O axis. The [FeBr(3)(CO)(3)](-) anion has point symmetry 1 and mean bond lengths of Fe-Br = 2.455?(5)?Å and Fe-C = 1.809?(2)?Å. The cation and anion complexes are mutually linked via O-H?Br hydrogen bonds with O?Br distances of 3.340?(3) to 3.388?(3)?Å.

| S-EPMC2970480 | biostudies-literature

fac-Tricarbon-yl(pyridine-?N)(1,1,1-trifluoro-acetyl-acetonato-?O,O')rhenium(I).

Project description:In the title compound, [Re(C(5)H(4)F(3)O(2))(C(5)H(5)N)(CO)(3)], the Re(I) atom is six-coordinated owing to bonding by three carbonyl ligands arranged in a fac configuration, two O atoms from the bidentate 1,1,1-trifluoro-acetyl-acetonate ligand and an N atom from a pyridine ligand. In the crystal, the mol-ecules pack in layers, diagonally, in a head-to-tail fashion across the ab plane. These layers are stabilsed by inter-molecular C-H?O and C-H?F hydrogen bonds.

| S-EPMC3247548 | biostudies-literature

?-Hydroxido-bis-[(2,2'-bipyridine)tricarbonyl-rhenium(I)] perrhenate.

Project description:The title compound, [Re(2)(OH)(C(10)H(8)N(2))(2)(CO)(6)][ReO(4)], is a mixed-valence rhenium compound containing discrete anions and cations. The Re(I) atoms are in a slightly distorted octa-hedral environment, whereas the Re(VII) atoms show the typical tetra-hedral coordination mode. The dihedral angle between the two bipyridine groups is 34.3?(7)°.

| S-EPMC2960830 | biostudies-other

Bis[?(2)-bis-(diphenyl-phosphan-yl)methane-?P:P']bis-(?(4)-diphenyl-phosphinato-?O:O:O':O')bis-(?(2)-trifluoro-acetato-?O:O')tetra-silver(I) acetonitrile disolvate.

Project description:In the cation of the title compound, [Ag(4)(C(2)F(3)O(2))(2)(C(12)H(10)O(2)P)(2)(C(25)H(22)P(2))(2)]·2CH(3)CN, the two independent Ag(+) cations are four-coordinated in a distorted tetra-hedral geometry by one P atom from a bis-(diphenyl-phosphan-yl)methane (dppm) ligand, one O atom from a trifluoro-acetate anion and two O atoms from two diphenyl-phosphinate (dpp) ligands. Two dppm ligands, two dpp ligands and two trifluoro-acetate anions bridge four metal atoms, forming a centrosymmetric tetra-nuclear complex. Intra-molecular C-H?O hydrogen bonds and a weak ?-? inter-action [centroid-centroid distance = 3.9804?(13)?Å] are also observed.

| S-EPMC3238607 | biostudies-literature

[Bis(pyridin-2-ylmeth-yl)amine-κ(3)N,N',N'']tricarbonyl-rhenium(I) bromide hemihydrate.

Project description:The title compound, fac-[Re(C(12)H(12)N(3))(CO)(3)]Br·0.5H(2)O, crystallizes with a cationic rhenium(I) unit, a bromide ion and half a water mol-ecule, situated on a twofold rotation axis, in the asymmetric unit. The Re(I) atom is facially surrounded by three carbonyl ligands and a tridentate bis-(pyridin-2-ylmeth-yl)amine ligand in a distorted octahedral environment. N-H⋯Br, O-H⋯Br, C-H⋯O and C-H⋯Br hydrogen bonds are present in the crystal structure and π-π stacking is also observed [centroid-centroid distances = 3.669 (1) Å and 4.054 (1) Å], giving rise to a three-dimentional network. The mol-ecules pack in a head-to-head fashion along the ac plane.

| S-EPMC3379082 | biostudies-literature

Bis(2,2'-bipyridyl-?N,N')(nitrato-?O,O')(trifluoro-acetato-?O)cadmium(II).

Project description:In the title complex, [Cd(C(2)F(3)O(2))(NO(3))(C(10)H(8)N(2))(2)], the Cd(II) ion is hepta-coordinated by two chelating 2,2'-bipyridyl ligands [Cd?N 2.370?(6)-2.416?(6)?Å], one carboxyl-ate O atom [Cd?O 2.290?(6)?Å] from the trifluoro-acetate ligand and two O atoms [Cd?O 2.386?(6), 2.633?(6)?Å] from a chelating nitrate anion. The trifluoro-methyl fragment is rotationally disordered between two orientations in a 0.640?(7):0.360?(7) ratio. In the crystal, weak inter-molecular C-H?O hydrogen bonds contribute to the crystal packing stability.

| S-EPMC2969603 | biostudies-literature

(Acetato-?O,O')bis-(1,10-phenanthroline-?N,N')copper(II) trifluoro-acetate tetra-hydrate.

Project description:In the title compound, [Cu(CH(3)CO(2))(C(12)H(8)N(2))(2)](CF(3)CO(2))·4H(2)O, the Cu(II) atom shows a distorted octa-hedral coordination with four N atoms [Cu-N = 2.015?(3)-2.244?(3)?Å] from the two phenanthroline ligands and two O atoms from the acetate [Cu-O = 1.953?(3) and 2.764?(3)?Å]. Strong inter-molecular O-H?O hydrogen-bonding inter-actions consolidate the crystal packing. The F atoms of the anion are disordered over two positions in a 0.5233?(3):0.4767?(3) ratio.

| S-EPMC3007037 | biostudies-literature

[?-1,4-Bis(diphenyl-phosphino-yl)butane-?O:O']bis-[cyclo-pentyl-diphen-yl(trifluoro-acetato-?O)tin(IV)].

Project description:The mol-ecule of the dinuclear title compound, [Sn(2)(C(5)H(9))(2)(C(6)H(5))(4)(C(2)F(3)O(2))(2)(C(28)H(28)O(2)P(2))], lies on a center of inversion at the mid-point of the central C-C bond of the bridging phosphine oxide ligand. The Sn atom is five-coordinate in a trans-C(3)SnO(2) trigonal-bipyramidal geometry.

| S-EPMC2961610 | biostudies-literature

In Vivo Anticancer Activity of a Rhenium(I) Tricarbonyl Complex.

Project description:The rhenium(I) complex fac-[Re(CO)3(2,9-dimethyl-1,10-phenanthroline)(OH2)]+ (1) was previously shown to exhibit potent in vitro anticancer activity in a manner distinct from conventional platinum-based drugs (J. Am. Chem. Soc. 2017, 139, 14302-14314). In this study, we report further efforts to explore its aqueous speciation and antitumor activity. The cellular uptake of 1 was measured in A2780 and cisplatin-resistant A2780CP70 ovarian cancer cells by inductively coupled plasma mass spectrometry, revealing similar uptake efficiency in both cell lines. High accumulation in the mitochondria was observed, contradicting prior fluorescence microscopy studies. The luminescence of 1 is highly dependent on pH and coordination environment, making fluorescence microscopy somewhat unreliable for determining compound localization. The in vivo anticancer activity of 1 was evaluated in mice bearing patient-derived ovarian cancer tumor xenografts. These studies conclusively show that 1 is capable of inhibiting tumor growth, providing further credibility for the use of these compounds as anticancer agents.

| S-EPMC6512002 | biostudies-literature

fac-Bromidotricarbonyl[2-(diisopropylphosphanyl)benzaldehyde-?(2)O,P]rhenium(I).

Project description:The structure of the title complex, [ReBr(C(13)H(19)OP)(CO)(3)], displays a facial coordination of the three CO ligands and a ?(2)O,P coordination mode of the 2-diisopropyl-phosphino-benzaldehyde ligands. The Re-C bond distance for the CO ligand trans to the P atom is, due to its trans influence, elongated to 1.943?(3)?Å, showing that this CO ligand is more weakly bound to the Re centre than the other two.

| S-EPMC3435616 | 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