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

ABSTRACT: 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.

SUBMITTER: Kaleta K

PROVIDER: S-EPMC3007953 | biostudies-literature |

REPOSITORIES: biostudies-literature

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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 (1,3-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

(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

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

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

Di-μ-iodido-bis-[(diethyl ether-κO)(η-1,3-di-tert-butyl-cyclo-penta-dien-yl)ytterbium(II)].

Project description:The half-sandwich title compound, [Yb(2)(C(13)H(21))(2)I(2)(C(4)H(10)O)(2)], crystallizes as a centrosymmetric dimer. The Yb atom is coordinated in a three-legged piano-stool geometry by a cyclo-penta-dienyl ring, two I anions and the O atom of a diethyl ether mol-ecule. The central Yb(2)I(2) core is an approximate square.

| S-EPMC2915154 | 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(μ-2-tert-butyl-phenyl-imido-1:2κN:N)chlorido-2κCl-(diethyl ether-1κO)(2η-penta-methyl-cyclo-penta-dien-yl)lithiumtantalum(V).

Project description:In the title compound, [LiTa(C(10)H(15))(C(10)H(13)N)(2)Cl(C(4)H(10)O)], the Ta(V) atom is coordinated by a η(5)-penta-methyl-cyclo-penta-dienyl (Cp*) ligand, a chloride ion and two N-bonded 2-tert-butyl-phenyl-imide dianions. With respect to the two N atoms, the chloride ion and the centroid of the Cp* ring, the tantalum coordination geometry is approximately tetra-hedral. The lithium cation is bonded to both the 2-tert-butyl-phenyl-imide dianions and also a diethyl ether mol-ecule, in an approximate trigonal planar arrangement. The Ta⋯Li separation is 2.681 (15) Å. In the crystal, a weak C-H⋯Cl inter-action links the mol-ecules. When compared to the 2,6-diisopropyl-phenyl-imide analogue ('the Wigley derivative') of the title compound, the two structures are conformationally matched with an overall r.m.s. difference of 0.461Å.

| S-EPMC3120624 | biostudies-literature

Carbon-yl(η-cyclo-penta-dien-yl)(pyridine)(triethyl-stann-yl)iron(II).

Project description:In the title complex, [Fe(C(5)H(5)){Sn(C(2)H(5))(3)}(C(5)H(5)N)(CO)], the Fe atom is coordinated by carbonyl, pyridine, triethyl-stannyl and cyclo-penta-dienyl ligands in a typical three-legged piano-stool configuration. The Fe-Sn and Fe-N bond distances are 2.5455 (13) and 1.984 (6) Å, respectively.

| S-EPMC2959867 | 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

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