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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 |

REPOSITORIES: biostudies-literature

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(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

(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

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-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

[1,2-Bis(dimethyl-phosphino)ethane]carbon-yl(η-cyclo-penta-dien-yl)iron(II) diphenyl-phosphinoylborate.

Project description:In the title compound, [Fe(C(5)H(5))(C(6)H(16)P(2))(CO)](C(12)H(13)BOP), the Fe(II) ion adopts a three-legged piano-stool geometry, with Fe⋯Cg = 1.721 (5)Å (Cg = the centroid defined by the C atoms of the cyclo-penta-dienyl ring). The 1,2-bis-(dimethyl-phosphino)ethane (dmpe) ligand chelates to form a five-membered C(2)P(2)Fe ring which is in a pseudo-half-chair conformation. In the crystal structure, associations of one cation and two anions are formed via weak inter-molecular C-H⋯O hydrogen bonds, giving rise to R(4) (2)(9) rings.

| S-EPMC2960313 | biostudies-literature

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

Project description: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.

| S-EPMC3998496 | biostudies-literature

[?-1,3-Bis(trimethyl-sil-yl)cyclo-penta-dien-yl]dichlorido[?-(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

Crystal structure of bis-(η(5)-cyclo-penta-dien-yl)(1,4-di-tert-butyl-buta-1-en-3-yn-1-yl)zirconium(IV) μ2-hydroxido-bis-[tris(penta-fluoro-phen-yl)borate].

Project description:Alkyl zirconocene cations have been of considerable inter-est as reactive species in many polymerization processes. In the crystal structure of the title compound, [Zr(C12H19)(C5H5)2](C36HB2F30O), the [Zr(C5H5)2((t-Bu)C=C(H)-C2(t-Bu))](+) cation displays a buta-1-en-3-yne ligand side-on coordinated to a typical bent zirconocene [centroid(cp)-Zr-centroid(cp) = 131.4 (3)°, Zr-C(buta-1-en-3-yne) = 2.255 (3), 2.597 (3) and 2.452 (2) Å]. In the [HO(B(C6F5)3)2](-) anion, intra-molecular O-H⋯F hydrogen bonds are observed. One tert-butyl group in the complex cation is disordered over two sets of sites with occupancies 0.701(4):0.299(4).

| S-EPMC4350704 | biostudies-literature

cyclo-Tri-?-oxido-tris-{[(?,?)-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

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