Browse
Submit Data
Databases
API
Help

Dataset Information

41 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

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

ABSTRACT: 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.

SUBMITTER: Erben M

PROVIDER: S-EPMC2967924 | biostudies-literature | 2008 Dec

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

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

Erben Milan M Dušek Michal M Picka Michal M Vinklárek Jaromír J

Acta crystallographica. Section E, Structure reports online 20081217 Pt 1

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)) ...[more]

PMID: 21581555

Similar Datasets

(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

Bis(η-cyclo-penta-dien-yl)bis-(2,4,6-tri-methyl-phenyl-tellurolato)zirconium(IV).

Project description:The structure of the title compound, [Zr(C(5)H(5))(2)(C(9)H(11)Te)(2)], consists of a zirconium(IV) centre bonded to two η(5)-coord-inated cyclo-penta-dienyl groups and two mesityltellurolate ligands; the discrete mol-ecule has crystallographic twofold rotation symmetry. The structural parameters compared with those in [(η(5)-Me(5)Cp)(2)Zr(TePh)(2)] [Howard, Trnka & Parkin (1995 ▶). Inorg. Chem.34, 5900-5909] show that the greater steric demands of the bulky mesityl substituents are accommodated by widening Te-Zr-Te (∼8°) and by more acute Zr-Te-C (∼5°) angles, although the Zr-Te distances are essentially the same. The crystal studied exhibited some inversion twinning.

| S-EPMC2961163 | 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

μ-Oxido-bis-[bis-(penta-fluoro-phenolato)(η-penta-methyl-cyclo-penta-dien-yl)titanium(IV)].

Project description:The dinuclear title complex, [Ti(2)(C(10)H(15))(2)(C(6)F(5)O)(4)O], features two Ti(IV) atoms bridged by an O atom, which lies on an inversion centre. The Ti(IV) atom is bonded to a η(5)-penta-methyl-cyclo-penta-dienyl ring, two penta-fluoro-phenolate anions and to the bridging O atom. The environment around the Ti(IV) atom can be considered as a distorted tetra-hedron. The cyclo-penta-dienyl ring is disordered over two sets of sites [site occupancy = 0.824 (8) for the major component].

| S-EPMC3212204 | biostudies-literature

(Cyanido-κC)(2,2-di-phenyl-acetamido-κ(2) N,O)bis-(η(5)-penta-methyl-cyclo-penta-dien-yl)zirconium(IV).

Project description:In the title compound, [Zr(C10H15)2(C14H12NO)(CN)], the Zr(IV) atom is coordinated by two penta-methyl-cyclo-penta-dienyl ligands, the amidate ligand via the N and O atoms, and an additional C N ligand. The four-membered metallacycle is nearly planar (r.m.s. deviation = 0.008 Å). In the crystal, the mol-ecules are connected into centrosymmetric dimers via pairs of N-H⋯N hydrogen bonds.

| S-EPMC3998262 | biostudies-literature

cyclo-Tri-μ-oxido-tris-{[(η,η)-1,2-bis-(cyclo-penta-dien-yl)-1,1,2,2-tetra-methyl-disilane]zirconium(IV)}: a trimeric disila-bridged oxidozirconocene.

Project description:The title compound, [Zr(3)(C(14)H(20)Si(2))(3)O(3)], consists of three disila-bridged zirconocene units, which are connected via an oxide ligand, forming a nearly planar six-membered ring with a maximum displacement of 0.0191 (8) Å. The compound was isolated as a by-product from a mixture of [(C(5)H(4)SiMe(2))(2)ZrCl(2)] and Li[AlH(4)] in Et(2)O.

| S-EPMC3099787 | 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

μ-Oxido-bis-{bis-[(penta-fluoro-phen-yl)methano-lato](η-penta-methyl-cyclo-penta-dien-yl)titanium(IV)}.

Project description:The dinuclear title complex, [Ti(2)(C(10)H(15))(2)(C(7)H(2)F(5)O)(4)O], features two Ti(IV) atoms bridged by an O atom. Each Ti atom is bonded to a η(5)-penta-methyl-cyclo-penta-dienyl ring, two (penta-fluoro-phen-yl)methano-late anions and to the bridging O atom. The environment around each Ti atom can be considered as a distorted tetra-hedron.

| S-EPMC3212174 | biostudies-literature

Chlorido(η-cyclo-penta-dien-yl)[(4a,4b,8a,9,9a-η)-fluoren-yl](fluorenyl-κC)zirconium(IV) toluene solvate.

Project description:In the title compound, [Zr(C(5)H(5))(C(13)H(9))(2)Cl]·C(7)H(8), the Zr(IV) atom is coordinated by a Cl atom, a cyclo-penta-dienyl (Cp) ligand [Zr-centroid (Cp) = 2.199 (3) Å] and two fluorenyl ligands (Fl) [Zr-centroid (Fl) = 2.273 (2) Å and Zr-CH from fluorenyl = 2.355 (2) Å] in a distorted tetra-gonal geometry. The dihedral angles between the mean planes of the fluorenyl ring systems and the Cp ring are 36.62 (6)° for the η(1)-coordinated fluorenyl and 52.85 (6)° for the η(5)-coordinated fluorenyl, while the dihedral angle between the mean planes of the two fluorenyl ring systems is 76.18 (7)°.

| S-EPMC3050299 | biostudies-literature

Penta-carbonyl-2κC-chlorido-1κCl-bis-[1(η)-cyclo-penta-dien-yl](μ-1-oxido-ethyl-ene-1:2κO:C)chromium(0)zirconium(IV).

Project description:The title compound, [CrZr(C(5)H(5))(2)(C(2)H(3)O)Cl(CO)(5)], consists of two metal centres, with a (penta-carbonyl-chromium)oxymethyl-carbene group coordinating as a monodentate ligand to the zirconocene chloride. π-Delocalization through the Zr-O-C=Cr unit is indicated by a short Zr-O distance [2.041 (3) Å] and a nearly linear Zr-O-C angle [170.5 (3)°]. Mol-ecules are aligned with their mol-ecular planes (through Zr, Cl, carbene and Cr) parallel to the ab plane. C-H⋯Cl inter-actions result in zigzag chains of mol-ecules propagating parallel to the b axis.

| S-EPMC2968157 | 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