Browse
Submit Data
Databases
API
Help

Dataset Information

25 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Dichlorido-1?Cl,3?Cl-hexa-kis[1,1,2,2,3,3(?)-methyl-cyclo-penta-dienyl]di-?(2)-oxido-1:2?O:O;2:3?O:O-trihafnium(IV).

ABSTRACT: The title compound, [Hf(3)(C(6)H(7))(6)Cl(2)O(2)], is a trinuclear mol-ecule having two (MeCp)(2)HfCl units (MeCp is methyl-cyclo-penta-dien-yl) each connected to an (MeCp)(2)Hf unit by an oxide bridge. The two Hf-O-Hf bridges are nearly linear. The geometry of the three Hf atoms is tetra-hedral (assuming the MeCp group occupies one coordination site); the O-Hf-O angle is 99.8?(5)°. One of the Cl atoms is disordered, with site occupancies of 0.61?(7) and 0.39?(7).

SUBMITTER: Wisniewska A

PROVIDER: S-EPMC2960469 | biostudies-literature | 2008 Jan

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Dichlorido-1κCl,3κCl-hexa-kis[1,1,2,2,3,3(η)-methyl-cyclo-penta-dienyl]di-μ(2)-oxido-1:2κO:O;2:3κO:O-trihafnium(IV).

Wisniewska Aleksandra A Baranowska Katarzyna K Pikies Jerzy J

Acta crystallographica. Section E, Structure reports online 20080116 Pt 2

The title compound, [Hf(3)(C(6)H(7))(6)Cl(2)O(2)], is a trinuclear mol-ecule having two (MeCp)(2)HfCl units (MeCp is methyl-cyclo-penta-dien-yl) each connected to an (MeCp)(2)Hf unit by an oxide bridge. The two Hf-O-Hf bridges are nearly linear. The geometry of the three Hf atoms is tetra-hedral (assuming the MeCp group occupies one coordination site); the O-Hf-O angle is 99.8 (5)°. One of the Cl atoms is disordered, with site occupancies of 0.61 (7) and 0.39 (7). ...[more]

PMID: 21201320

Similar Datasets

Dichlorido-1κCl,3κCl-hexa-kis-[1,1,2,2,3,3(η⁵)-cyclo-penta-dien-yl]di-μ₂-oxido-1:2κ²O:O;2:3κ²O:O-trizirconium(IV).

Project description:The title compound, [Zr₃(C₅H₅)₆Cl₂O₂], exists as discrete mol-ecules possessing a series of three Cp(2)Zr units (Cp is cyclo-penta-dien-yl) bridged by oxide ligands and end-capped by chloride ligands. The Cp planes in the central and terminal zirconocene units form dihedral angles of 53.3 (2) and 53.5 (2)°, respectively. The two Zr-O-Zr bridge angles are nearly linear and form a planar Zr₃O₂ core. The mol-ecule bears C2 symmetry with the central Zr atom lying on a crystallographic twofold axis.

| S-EPMC3393167 | biostudies-literature

Penta-carbonyl-2κC-chlorido-1κCl-bis-[1(η)-cyclo-penta-dien-yl][μ-oxido(phenyl)methylene-1:2κO:C]hafnium(IV)tungsten(0).

Project description:The title compound, [HfW(C(5)H(5))(2)(C(7)H(5)O)Cl(CO)(5)] or [W(CO)(5)(C(7)H(5)O){Hf(C(5)H(5))(2)Cl}], contains two metal centres, with a (tungstenpenta-carbon-yl)oxy-phenyl-carbene unit coordinated to a hafnocene chloride. The Hf-O-C angle is nearly linear, and the C=O distance is slightly shorter than for equivalent alkoxy-carbenes. One of the cyclo-penta-dienyl (Cp) rings undergoes an offset face-to-face π-π inter-action [3.495 (7) Å] with the symmetry-related Cp ring of a neighbouring mol-ecule.

| S-EPMC2960508 | biostudies-literature

Penta-carbonyl-2κC-chlorido-1κCl-bis-[1(η)-cyclo-penta-dien-yl](μ-α-oxido-benzyl-idene-1:2κO:C)titanium(IV)tungsten(0).

Project description:The title compound, [TiW(C(5)H(5))(2)(C(7)H(5)O)Cl(CO)(5)], consists of two metal centres, with a (tungstenpenta-carbon-yl)oxy-phenyl-carbene unit coordinated by a titanocene chloride. The oxycarbene group is nearly planar, with the phenyl ring twisted by an angle of 39.1 (2)° with respect to this plane. One of the cyclo-penta-dienyl rings undergoes an offset face-to-face π-π inter-action [3.544 (6) Å] with the symmetry-related cyclo-penta-dienyl ring of a neighbouring mol-ecule.

| S-EPMC2960115 | biostudies-literature

Hexa-kis-(dimethyl sulfoxide-?O)calcium ?(6)-oxido-dodeca-kis-?(2)-oxido-hexa-oxido-hexa-tungstate(VI).

Project description:In the title compound, [Ca(C(2)H(6)OS)(6)][W(6)O(19)], the cation and anion both have a crystallographically imposed centre of symmetry. The Ca(II) atom in the cation is coordinated by six O atoms from six dimethyl sulfoxide ligands in a distorted octa-hedral geometry. The [W(6)O(19)](2-) isopolyanion possesses the well-known Lindqvist structure in which each W(VI) atom is coordinated by four ?(2)-O, one terminal O and one ?(6)-O atom.

| S-EPMC3344417 | biostudies-other

(η-Penta-methyl-cyclo-penta-dien-yl)(η-toluene)-ruthenium(II) hexa-fluorido-phosphate.

Project description:In the title complex, [Ru(C(7)H(8))(C(10)H(15))]PF(6), the cation lies on a mirror plane and the anion lies on an inversion center. The distance between the Ru atom and the centroid of the benzene ring is 1.706 (5) Å and the distance between the Ru atom and the cyclo-penta-dienyl ring is 1.811 (5) Å. The crystal structure is stabilized by weak C-H⋯F hydrogen bonds. The H atoms of the methyl groups which lie on the mirror plane are disordered over two sites with equal occupancies.

| S-EPMC2983397 | biostudies-literature

Hexa-μ(2)-acetato-1:2κO:O';1:2κO:O;2:3κO:O';2:3κO:O-bis-(2-amino-7-chloro-5-methyl-1,8-naphthyridine)-1κN,3κN-trizinc(II).

Project description:The title complex, [Zn(3)(C(2)H(3)O(2))(6)(C(9)H(8)ClN(3))(2)], contains three Zn(II) atoms bridged by six acetate ligands. The central Zn(II) ion, located on an inversion centre, is surrounded by six O atoms from acetate ligands in a distorted octa-hedral geometry [Zn-O = 1.9588 (12)-2.1237 (12) Å]. The terminal Zn(II) ions are coordinated by one N atom of 2-amino-7-chloro-5-methyl-1,8-naphthyridine and three O atoms of three acetate ligands in a distorted tetra-hedral geometry. The separation between the central and terminal Zn(II) ions is 3.245 (3) Å.

| S-EPMC2960502 | biostudies-literature

Penta-ammonium hepta-sodium bis-[penta-kis(μ(2)-oxido)deca-oxido-bis-(μ(5)-phosphato)penta-molybdenum(VI)] henicosa-hydrate.

Project description:The title compound, (NH(4))(5)Na(7)[Mo(5)P(2)O(23)](2)·21H(2)O, was prepared under atmospheric conditions in aqueous solution at room temperature. The structure contains the [Mo(5)P(2)O(23)](6-) heteropolyoxometallate anion, which has been previously reported a number of times with a variety of differing counter-cations. Each anion is built up of five MoO(6) octa-hedra sharing an edge and forming a ring which is closed by common corners of the terminal octa-hedra. The rings are closed on both sides by two asymmetric PO(4) tetra-hedra, sharing three corners with three MoO(6) octa-hedra. The anions are chiral and the two independent anions in the asymmetric unit were arbitarily chosen with the same chirality, but the centrosymmetric crystal contains both enanti-omers. The structure can alternatively be described as a succession of layers parallel to (101), formed by the [Mo(5)P(2)O(23)](6-) anions and linked by sodium chains. Water mol-ecules and ammonium ions fill the remaining space and ensure the cohesion through extensive N-H⋯O and O-H⋯O hydrogen bonding.

| S-EPMC2983582 | biostudies-literature

Bis(2,2'-bipyridine)-1κN,N';3κN,N'-hexa-μ-methacrylato-1:2κO:O';2:3κO:O'-(nitrato-2κO,O')-1,3-dicobalt(II)-2-terbium(III).

Project description:In the title trinuclear cobalt-terbium complex, [Co(2)Tb(C(4)H(5)O(2))(6)(NO(3))(C(10)H(8)N(2))(2)], the central Tb(III) and each of the Co(II) ions are bridged by three carboxyl-ate groups of the methacrylate anions. The Tb(III) cation is coordinated by six O atoms from six methacrylate anions and two O atoms from a chelating nitrate anion in a distorted square-anti-prismatic geometry. Each Co(II) ion is coordinated by three O atoms from three methyl-acrylate anions and two N atoms of a 2,2'-bypiridine ligand in a distorted square-pyramidal geometry. In the crystal structure, π-π stacking between the pyridine rings [centroid-centroid distances = 3.682 (8) and 3.760 (8) Å] is observed and weak inter-molecular C-H⋯O hydrogen bonding is also present.

| S-EPMC3007888 | biostudies-literature

Tetra-kis(diethyl ether)tetra-?(4)-oxido-octa-kis-(penta-fluoro-phen-yl)octa-zinc.

Project description:Mol-ecules of the title compound, [Zn(8)(C(6)F(5))(8)O(4)(C(4)H(10)O)(4)], are located on a special position of site symmetry [Formula: see text]. As a result, there is just one quarter-mol-ecule in the asymmetric unit. The title compound features a Zn(4)O(4) cube. Each Zn atom in the cube carries a pentafluorophenyl substituent. Each O atom is bonded to a further Zn atom, which is connected to a pentafluorophenyl substituent and the O atom of a diethyl ether mol-ecule. All ether C atoms are disordered over two sets of sites with a site occupation factor of 0.51?(2) for the major occupied site.

| S-EPMC3201485 | biostudies-literature

Decaaqua-1κO,4κO-bis-(μ-nitrilo-triacetato)-1:2κO:N,O',O'',O''';3:4κN,O,O',O'':O'''-μ-oxido-2:3κO:O-diperoxido-2κO,O';3κO,O'-1,4-dicopper(II)-2,3-dititanium(IV) hepta-hydrate.

Project description:The tetra-nuclear title compound, [Cu(2)Ti(2)(C(6)H(6)NO(6))(2)O(O(2))(2)(H(2)O)(10)]·7H(2)O, lies about a twofold rotation axis that passes through the bridging oxide atom. The titanium atom is N,O,O',O''-chelated by the nitrilo-triacetate and O,O'-chelated by the peroidxo group and is coordinated to the bridging O atom in an overall penta-gonal-bipyramidal geometry. The O atom of one of the carboxyl-ate -CO(2) groups binds to the water-coordinated Cu atom, whose coordination polyhedron is an elongated octa-hedron. Adjacent tetra-nuclear mol-ecules are linked through the coordinated and uncoordinated water mol-ecules by O-H⋯O hydrogen bonds into a three-dimensional network.

| S-EPMC2983515 | 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