Browse
Submit Data
Databases
API
Help

Dataset Information

30 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Bis(?(5)-penta-methyl-cyclo-penta-dien-yl)aluminium tetra-bromido-aluminate.

ABSTRACT: The title compound, [Al(C10H15)2][AlBr4], was formed during the reduction of a mixture of Cp*AlBr2 and AlBr3. The Al(III) atoms of the two crystallographically independent cations each lie on an inversion center, and the [AlBr4](-) anions are on general positions. At 123?K, the structure exhibits disorder in two of the Br atoms of the [AlBr4](-) ion, with a ratio occupancy of 0.733?(6): 0.267?(3). In the crystal, there is possible weak hydrogen bonding between some methyl groups and Br atoms. The interactions link the moieties in a three-dimensional array.

SUBMITTER: Purdy AP

PROVIDER: S-EPMC3998496 | biostudies-literature | 2014 Mar

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Bis(η(5)-penta-methyl-cyclo-penta-dien-yl)aluminium tetra-bromido-aluminate.

Purdy Andrew P AP Dugger Cherrelle C Butcher Ray J RJ

Acta crystallographica. Section E, Structure reports online 20140208 Pt 3

The title compound, [Al(C10H15)2][AlBr4], was formed during the reduction of a mixture of Cp*AlBr2 and AlBr3. The Al(III) atoms of the two crystallographically independent cations each lie on an inversion center, and the [AlBr4](-) anions are on general positions. At 123 K, the structure exhibits disorder in two of the Br atoms of the [AlBr4](-) ion, with a ratio occupancy of 0.733 (6): 0.267 (3). In the crystal, there is possible weak hydrogen bonding between some methyl groups and Br atoms. Th ...[more]

PMID: 24764951

Similar Datasets

Bis(η-penta-methyl-cyclo-penta-dien-yl)cobalt(II).

Project description:The crystal structure of the title compound, deca-methyl-cobaltocene, [Co(C(10)H(15))(2)], has been determined. High-quality single crystals were grown from a cold saturated hexa-methyl-disiloxane solution. The structure is related to the manganese and iron analogs. The molecule has D(5d) symmetry, with the Co atom in a crystallographic 2/m position. The cobalt-centroid(C(5)) distance is 1.71Å and the centroid(C(5))-Co-centroid(C(5)) angle is 180°, by symmetry.

| S-EPMC2969061 | biostudies-literature

(η-Penta-methyl-cyclo-penta-dien-yl)(η-p-toluene-sulfonamide)ruthenium(II) tetra-phenyl-borate.

Project description:The crystal structure of the title compound, [Ru(C(10)H(15))(C(7)H(9)NO(2)S)]C(24)H(20)B, has been determined as part of our investigation into the structural and biological properties of organometallic Ru(II)-arene-Cp* complex salts of the type [R-PhRuCp*](+)·X(-) (where Cp* is penta-methyl-cyclo-penta-diene). Tethering the RuCp* group to the benzene ring of p-toluene-sulfonamide results in only minor changes to the mol-ecular geometry of the sulfonamide, but, together with crystallization as the [BPh(4)](-) salt, effectively blocks involvement of the sulfonamide group in N-H⋯O hydrogen-bonding networks.

| S-EPMC2960125 | biostudies-literature

(μ-Formato-κO:O')bis-[dicarbon-yl(η-cyclo-penta-dien-yl)iron(II)] tetra-fluoridoborate.

Project description:In the structure of the title compound [Fe(2)(C(5)H(5))(2)(CHO(2))(CO)(4)]BF(4), each Fe(II) atom is coordinated in a pseudo-octa-hedral three-legged piano-stool fashion. The cyclo-penta-dienyl ligand occupies three fac coordination sites while the two carbonyl ligands and formate O atom occupy the remaining three sites.

| S-EPMC3200969 | biostudies-literature

Bis[bis-(penta-methyl-cyclo-penta-dien-yl)cobalt(III)] tetra-chlorido-cobaltate(II) di-chloro-methane disolvate.

Project description:The title compound, [Co(C10H15)2]2[CoCl4]·2CH2Cl2, was isolated as a dichloromethane solvate and was formed in the reaction between lithium penta-methyl-cyclo-penta-dienide and anyhydrous cobalt(II) chloride in tetra-hydro-furan. There are two deca-methyl-cobaltocenium cations, one tetrachloridocobaltate(II) anion and two di-chloro-methane solvent mol-ecules in the formula unit. There is a slight disorder of the di-chloro-methane solvent which was treated with a two-site model [occupancy rates = 0.765?(4) and 0.235?(4)]. The di-chloro-methane mol-ecules display significant C-H?Cl inter-actions with the tetrachloridocobaltate(II) dianion. The cobalt atom of the deca-methyl-cobaltocenium cation sits on a twofold rotation axis, with only one penta-methyl-cyclo-penta-diene ligand being unique and the second generated by symmetry. The cobalt atom of the [CoCl4](-2) ion sits on a special site with -4 symmetry, with one unique chloride ligand and the others generated by the fourfold inversion axis.

| S-EPMC3884476 | biostudies-literature

Dibromido[bis-(η-cyclo-penta-dien-yl)dimethyl-silane]zirconium(IV).

Project description:The title mol-ecule, [ZrBr(2)(C(12)H(14)Si)], possesses a crystallographically imposed twofold rotational symmetry with the rotation axis passing through the Zr and Si atoms. The Zr(IV) centre is in a distorted tetra-hedral environment defined by two Cp rings of chelating organic ligands and two Br anions. Two five-membered rings form a dihedral angle of 59.7 (2)°. Unequal Zr-C bonds [2.471 (3)-2.556 (3) Å] in the mol-ecule indicate that the inter-action of the central metal with the [(C(5)H(4))(2)SiMe(2)](2-) ligand contains noticeable η(3)-allyl and η(2)-olefin contributions.

| S-EPMC2967924 | biostudies-literature

Crystal structure of 1,1,2,2-tetra-methyl-1,2-bis-(2,3,4,5-tetra-methyl-cyclo-penta-2,4-dien-1-yl)disilane.

Project description:The mol-ecular structure of the title compound, C22H38Si2, features a trans arrangement of the cyclo-penta-dienyl rings to avoid steric strain [C-Si-Si-C torsion angle = -179.0 (5)°]. The Si-Si bond length is 2.3444 (4) Å. The most notable inter-molecular inter-actions in the mol-ecular packing are C-H⋯π contacts that lead to the formation of wave-like supra-molecular chains along the b axis.

| S-EPMC4644997 | biostudies-literature

(Glycol-κO,O')nitros-yl(η-penta-methyl-cyclo-penta-dien-yl)ruthenium(II) bis-(tri-fluoro-methane-sulfonate).

Project description:The title compound, [Ru(C(10)H(15))(NO)(HOCH(2)CH(2)OH)](CF(3)SO(3))(2), possesses a three-legged piano-stool geometry around the Ru atom, with an average Ru-O distance of 2.120 (6) Å and an Ru-N-O angle of 159.45 (14)°. The ethyl-eneglycol ligand forms a non-planar metallacyclic ring by chelating the Ru atom via the O atoms. The O⋯O distances of 2.554 (2) and 2.568 (2) Å are indicative of hydrogen bonding between coordinated ethyl-eneglycol and outer-sphere trifluoro-methane-sulfonate fragments. The crystal packing is stabilized by ionic forces and several CH(3)⋯·F (2.585 and 2.640 Å) and CH(3)⋯O inter-actions (2.391, 2.678, 2.694 and 2.699 Å) between the penta-methyl-cyclo-penta-dienyl ligand and trifluoro-methane-sulfonate anion. There is noticeable short inter-molecular contact [2.9039 (16) Å], between an O atom of the SO(3) group and a C atom of the penta-methyl-cyclo-penta-dienyl ligand.

| S-EPMC2960154 | biostudies-literature

(tert-Butyl-imido)bis-(η-cyclo-penta-dien-yl)pyridine-zirconium(IV).

Project description:The title compound, [Zr(C(5)H(5))(2)(C(4)H(9)N)(C(5)H(5)N)], was obtained from the reaction of (C(5)H(5))(2)Zr(py)(η(2)-Me(3)SiC(2)SiMe(3)) (py is pyridine) and (t)BuN=C=N(t)Bu alongside the formation of (C(5)H(5))(2)Zr(CN(t)Bu)(η(2)-Me(3)SiC(2)SiMe(3)). The zirconium atom is coordinated in a distorted tetra-hedral geometry by two cyclo-penta-dienyl ligands, a pyridine ligand, and a tert-butyl-imido ligand via a Zr=N double bond. The tert-butyl group is disordered over two positions in a 0.634 (5):0.366 (5) ratio.

| S-EPMC3007953 | biostudies-literature

(?-Benzophenone)(?-penta-methyl-cyclo-penta-dien-yl)ruthenium(II) tetra-phenyl-borate.

Project description:The structure of the title compound, [Ru(C(10)H(15))(C(13)H(10)O)](C(24)H(20)B), consists of discrete [Cp*Ru(II)benzophenone] cations and tetra-phenyl-borate anions (Cp* = penta-methyl-cyclo-penta-dien-yl). Tethering the Cp*Ru group to one aryl ring of benzophenone results in average values of 1.42?(1) and 1.38?(1)?Å for the C-C bond lengths in the Ru-tethered and untethered phenyl rings, respectively. The dihedral angle between the benzene and phenyl rings of the benzophenone group is 50.5?(1)°.

| S-EPMC2971317 | biostudies-literature

(μ-Di-<i>tert</i>-butyl-silanediolato)bis-[bis-(η<sup>5</sup>-cyclo-penta-dien-yl)methyl-zirconium].

Project description:The reaction of t-Bu2Si(OH)2 with two equivalents of Cp2Zr(CH3)2 produces the title t-Bu2SiO2-siloxide bridged dimer, [Zr2(CH3)2(C5H5)4(C8H18O2Si)] or [Cp2Zr(CH3)]2[μ-t-Bu2SiO2] (1), where one methyl group is retained per zirconium atom. The same product is obtained at room temperature even when equimolar ratios of the silanediol and Cp2Zr(CH3)2 are used. Attempts to thermally eliminate methane and produce a bridging methyl-ene complex resulted in decomposition. The crystal structure of 1 displays typical Zr-CH3 and Zr-O distances but the Si-O distance [1.628 (2) Å] and O-Si-O angle [110.86 (15)°] are among the largest observed in this family of compounds suggesting steric crowding between the t-Bu substituents of the silicon atom and the cyclo-penta-dienyl groups. The silicon atom lies on a crystallographic twofold axis and both Cp rings are disordered over two orientations of equal occupancy.

| S-EPMC6895932 | 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