Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Crystal structure of bis-(η(5)-cyclo-penta-dien-yl)(2,3-di-ethyl-butane-1,4-di-yl)hafnium(IV).

ABSTRACT: The title compound, [Hf(C5H5)2(C8H16)], proves a structural motif of hafna-cyclo-pentane besides the coordination of two cyclo-penta-dienyl ligands in an η(5)-fashion. The hafna-cyclo-pentane ring has a twist conformation and is substituted by two ethyl groups in the β,β'-positions, which are trans orientated to each other. One cyclo-penta-dienyl ring and one ethyl group are each disordered over two positions with site-occupancy ratios of 0.679 (15):0.321 (15) and 0.702 (18):0.298 (18), respectively.

SUBMITTER: Burlakov VV

PROVIDER: S-EPMC4331853 | biostudies-literature | 2015 Jan

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Crystal structure of bis-(η(5)-cyclo-penta-dien-yl)(2,3-di-ethyl-butane-1,4-di-yl)hafnium(IV).

Burlakov Vladimir V VV Baumann Wolfgang W Arndt Perdita P Spannenberg Anke A Rosenthal Uwe U

Acta crystallographica. Section E, Crystallographic communications 20150101 Pt 1

The title compound, [Hf(C5H5)2(C8H16)], proves a structural motif of hafna-cyclo-pentane besides the coordination of two cyclo-penta-dienyl ligands in an η(5)-fashion. The hafna-cyclo-pentane ring has a twist conformation and is substituted by two ethyl groups in the β,β'-positions, which are trans orientated to each other. One cyclo-penta-dienyl ring and one ethyl group are each disordered over two positions with site-occupancy ratios of 0.679 (15):0.321 (15) and 0.702 (18):0.298 (18), respecti ...[more]

PMID: 25705475

Similar Datasets

Tris(η-cyclo-penta-dien-yl)hafnium(III).

Project description:In the crystal structure of the title compound, [Hf(C(5)H(5))(3)], three cyclo-penta-dienyl ligands surround the Hf(III) atom in a trigonal-planar geometry. The mol-ecule lies on a sixfold inversion axis.

| S-EPMC3089176 | biostudies-literature

Crystal structure of di-n-but-yl-bis-(η (5)-penta-methyl-cyclo-penta-dien-yl)hafnium(IV).

Project description:The crystal structure of the title compound, [Hf(C10H15)2(C4H9)2], reveals two independent mol-ecules in the asymmetric unit. The diffraction experiment was performed with a racemically twinned crystal showing a 0.529 (5):0.471 (5) component ratio. Each Hf(IV) atom is coordinated by two penta-methyl-cyclo-penta-dienyl and two n-butyl ligands in a distorted tetra-hedral geometry, with the cyclo-penta-dienyl rings inclined to one another by 45.11 (15) and 45.37 (16)°. In contrast to the isostructural di(n-butyl)bis(η (5)-penta-methyl-cyclo-penta-dien-yl)zirconium(IV) complex with a noticeable difference in the Zr-butyl bonding, the Hf-Cbut-yl bond lengths differ from each other by no more than 0.039 (3) Å.

| S-EPMC4384584 | biostudies-literature

(η-Cyclo-penta-dien-yl)[(1,2,3,4,4a,12a-η)-naphtho-[2,3-b][1,4]benzodioxine]iron(II) hexa-fluoridophosphate.

Project description:At 296 (2) K, both complexed rings in the iron(II) complex cation of the title salt, [Fe(C(5)H(5))(C(16)H(10)O(2))]PF(6), are almost parallel [dihedral angle between planes = 2.4 (3)°]. The quaternary C atoms of the complexed arene ring are located at the longest distance from the Fe atom, with Fe-C distances of 2.112 (4) and 2.105 (3) Å, which are slightly longer than the average Fe-C distance for this ring (2.083 Å). The Fe ion is located 1.660 (1) and 1.543 (1) Å, respectively, from the cyclo-penta-dienyl and the complexed arene ring.

| S-EPMC3007910 | biostudies-literature

Crystal structure of (1,3-di-tert-butyl-η(5)-cyclo-penta-dien-yl)tri-methyl-hafnium(IV).

Project description:The mol-ecule of the title organometallic hafnium(IV) com-pound, [Hf(CH3)3(C13H21)] or [HfMe3(η(5)-C5H3-1,3- (t) Bu2)], adopts the classical three-legged piano-stool geometry for mono-cyclo-penta-dienylhafnium(IV) derivatives with the three methyl groups bonded to the Hf(IV) atom at the legs. The C atoms of the two tert-butyl group bonded to the cyclo-penta-dienyl (Cp) ring are 0.132 (5) and 0.154 (6) Å above the Cp least-squares plane. There are no significant inter-molecular inter-actions present between the mol-ecules in the crystal structure.

| S-EPMC4420044 | biostudies-literature

Dicarbon-yl(η(5)-cyclo-penta-dien-yl)(2,3-di-bromo-propanamine-κN)iron(II) tetra-fluoridoborate.

Project description:The title compound, [Fe(η(5)-C(5)H(5))(NH(2)CH(2)CHBrCH(2)Br)(CO)(2)](BF(4)) contains an Fe(II) cation with a three-legged piano-stool coordination. The NH(2)CH(2)CHBrCH(2)Br ligand contains a chiral carbon atom. The Fe-N bond length is 2.011 (3) Å and the Fe-Cp centroid distance is 1.7189 (5) Å. In the crystal, the ions are linked via two N-H⋯F inter-actions and a weak N-H⋯Br inter-action.

| S-EPMC3393195 | biostudies-literature

[η-1,3-Bis(trimethyl-sil-yl)cyclo-penta-dien-yl]dichlorido[η-(trimethyl-sil-yl)cyclo-penta-dien-yl]titanium(IV).

Project description:In the title compound, [Ti(C(8)H(13)Si)(C(11)H(21)Si(2))Cl(2)], the Ti(IV) atom is bonded to two Cl atoms, one 1,3-bis-(trimethyl-sil-yl)cyclo-penta-dienyl (Si(2)Cp) and one (trimethyl-sil-yl)cyclo-penta-dienyl ring (SiCp). The Si(2)Cp centroid-titanium distance is 2.0763 (10) Å and the SiCp centroid-titanium distance is 2.0793 (10) Å. The angle subtended at the Ti atom by the centroids of both cyclo-penta-dienyl rings is 131.22 (4)° and the Cl-Ti-Cl angle is 94.14 (2)°.

| S-EPMC3238619 | biostudies-literature

Iodidobis(η-penta-methyl-cyclo-penta-dien-yl)titanium(III).

Project description:In the title complex mol-ecule, [Ti(C(10)H(15))(2)I], the paramagnetic Ti(III) atom is coordinated by two penta-methyl-cyclo-penta-dienyl (Cp*) ligands and one iodide ligand. The two Cp* ligands are in a staggered orientation. The coordination geometry at the titanium atom can be described as distorted trigonal-planar.

| S-EPMC3009319 | biostudies-literature

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-(Phenyl-ethyn-yl)cyclo-penta-dien-yl](η-tetra-phenyl-cyclo-butadiene)cobalt(I).

Project description:In the title compound, [Co(C(13)H(9))(C(28)H(20))], the Co atom is sandwiched between cyclo-penta-dienyl and cyclo-butadienyl rings that are inclined at a dihedral angle of 2.6 (3)°. The four phenyl rings are tilted with respect to the cyclo-butadienyl plane so that the C(4)Ph(4) unit constitutes a four-bladed propeller. The phenyl ring of the phenyl-alkyne substituent is inclined to the cyclo-penta-dienyl ring at an angle of 34.92 (18)°. The crystal structure is stabilized solely by C-H⋯π inter-actions which generate a three-dimensional network.

| S-EPMC3120504 | biostudies-literature

(η-Benzophenone)(η-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

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