Search results for "Crystal Structure"

showing 10 items of 15036 documents

Preparation of a Series of “Ru(p-cymene)” Complexes with Different N-Heterocyclic Carbene Ligands for the Catalytic β-Alkylation of Secondary Alcohol…

2008

A series of five different “(p-cymene)Ru(NHC)” complexes (NHC = imidazolin-2-ylidene, imidazolin-4-ylidene, and pyrazolin-3-ylidene) have been obtained and fully characterized. The crystal structure of two of the new complexes has been determined by X-ray diffraction methods. All five complexes have been tested in the catalytic β-alkylation of secondary alcohols with primary alcohols and the dimerization of phenylacetylene, showing an excellent activity in both processes. A clear improvement on the catalytic activity of the complexes is observed when the more basic NHC ligands are used. The pyrazolylidene-Ru complex lies among the best catalysts for the β-alkylation of secondary alcohols re…

p-CymeneTransition metal carbene complexOrganic ChemistryCrystal structureAlkylationMedicinal chemistryCatalysisInorganic Chemistrychemistry.chemical_compoundchemistryPhenylacetyleneOrganic chemistryPhysical and Theoretical ChemistryCarbeneOrganometallics
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CCDC 294531: Experimental Crystal Structure Determination

2007

Related Article: C.J.Gomez-Garcia, E.Coronado, S.Curreli, C.Gimemez-Saiz, P.Deplano, M.L.Mercuri, L.Pilia, A.Serpe, C.Faulmann, E.Canadell|2006|Chem.Commun.||4931|doi:10.1039/b610408h

pentakis(alpha-bis(ethylenedithio)tetrathiafulvalene) tris(croconato)-iron(iii) pentahydrateSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 1945945: Experimental Crystal Structure Determination

2019

Related Article: Suchithra Ashoka Sahadevan, Alexandre Abhervé, Noemi Monni, Pascale Auban-Senzier, Joan Cano, Francesc Lloret, Miguel Julve, Hengbo Cui, Reizo Kato, Enric Canadell, Maria Laura Mercuri, Narcis Avarvari|2019|Inorg.Chem.|58|15359|doi:10.1021/acs.inorgchem.9b02404

pentakis(bis(ethylenedithio)tetrathiafulvalene radical) bis(tris(chlorocyananilato)-iron(iii)) acetonitrile solvateSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 1455868: Experimental Crystal Structure Determination

2016

Related Article: Philipp Benrath, Maximilian Kaiser, Thomas Limbach, Mihail Mondeshki and Jan Klett|2016|Angew.Chem.,Int.Ed.|55|10886|doi:10.1002/anie.201602792

pentakis(mu-t-butoxy)-tris(mu-neopentyl)-tetra-lithium-tetra-potassiumSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 1446096: Experimental Crystal Structure Determination

2016

Related Article: José J. Baldoví, Yan Duan, Carlos Bustos, Salvador Cardona-Serra, Pierre Gouzerh, Richard Villanneau, Geoffrey Gontard, Juan M. Clemente-Juan, Alejandro Gaita-Ariño, Carlos Giménez-Saiz, Anna Proust, Eugenio Coronado|2016|Dalton Trans.|45|16653|doi:10.1039/C6DT02258H

pentakis(tetra-n-butylammonium) dotriacontakis(mu-oxido)-icosaoxo-hexadeca-molybdenum-thulium acetonitrile solvateSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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On the high-pressure phase stability and elastic properties ofβ-titanium alloys

2017

We have studied the compressibility and stability of different β-titanium alloys at high pressure, including binary Ti–Mo, Ti–24Nb–4Zr–8Sn (Ti2448) and Ti–36Nb–2Ta–0.3O (gum metal). We observed stability of the β phase in these alloys to 40 GPa, well into the ω phase region in the P–T diagram of pure titanium. Gum metal was pressurised above 70 GPa and forms a phase with a crystal structure similar to the η phase of pure Ti. The bulk moduli determined for the different alloys range from 97  ±  3 GPa (Ti2448) to 124  ±  6 GPa (Ti–16.8Mo–0.13O).

phase stabilityMECHANISMMaterials scienceFluids & Plasmas0204 Condensed Matter PhysicsThermodynamicschemistry.chemical_element02 engineering and technologyCrystal structure01 natural sciencestitanium alloysPhase (matter)0103 physical sciencesGeneral Materials Sciencetitanium0912 Materials EngineeringSUPERELASTICITY010302 applied physicsScience & Technology1007 NanotechnologyPhase stabilityPhysicsDiagramMetallurgyGum metal021001 nanoscience & nanotechnologyCondensed Matter PhysicsTI-24NB-4ZR-8SNSTATEMARTENSITIC-TRANSFORMATIONPhysics Condensed Matterdiamond anvil cellchemistryMETALHigh pressurePhysical SciencesCompressibilityTI0210 nano-technologybiomaterialsTitaniumJournal of Physics: Condensed Matter
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SrP3N5O: a highly condensed layer phosphate structure solved from a nanocrystal by automated electron diffraction tomography.

2011

The oxonitridophosphate SrP(3)N(5)O has been synthesized by heating a multicomponent reactant mixture that consisted of phosphoryl triamide OP(NH(2))(3), thiophosphoryl triamide SP(NH(2))(3), SrS, and NH(4)Cl enclosed in evacuated and sealed silica-glass ampoules up to 750 °C. The compound was obtained as nanocrystalline powder with needle-shaped crystallites. The crystal structure was solved ab initio on the basis of electron diffraction data by means of automated electron diffraction tomography (ADT) and verified by Rietveld refinement with X-ray powder diffraction data. SrP(3)N(5)O crystallizes in the orthorhombic space group Pnma (no. 62) with unit-cell data of a=18.331(2), b=8.086(1), …

phosphatesRietveld refinementChemistryOrganic ChemistryAb initioGeneral ChemistryCrystal structureelectron diffraction; layered compounds; oxonitrides; phosphates; strontiumoxonitridesCatalysisNMR spectra databaseCrystallographyElectron diffractionlayered compoundselectron diffractionOrthorhombic crystal systemCrystallitestrontiumPowder diffractionChemistry (Weinheim an der Bergstrasse, Germany)
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Low-temperature single crystal X-ray diffraction and high-pressure Raman studies on [(CH3)2NH2]2[SbCl5]

2007

The structure of bis(dimethylammonium) pentachloroantimonate(III), [(CH{sub 3}){sub 2}NH{sub 2}]{sub 2}[SbCl{sub 5}], BDP, was studied at 15 K and ambient pressure by single-crystal X-ray diffraction as well as at ambient temperature and high pressures up to 4.87(5) GPa by Raman spectroscopy. BDP crystallizes in the orthorhombic Pnma space group with a=8.4069(4), b=11.7973(7), c=14.8496(7) A, and Z=4; R{sub 1}=0.0381, wR{sub 2}=0.0764. The structure consists of distorted [SbCl{sub 6}]{sup 3-} octahedra forming zig-zag [{l_brace}SbCl{sub 5}{r_brace}{sub n}]{sup 2n-} chains that are cross-linked by dimethylammonium [(CH{sub 3}){sub 2}NH{sub 2}]{sup +} cations. The organic and inorganic substr…

polyhedral distortionsChemistrySpace groupCrystal structureCondensed Matter Physicshydrogen bondingElectronic Optical and Magnetic MaterialsInorganic ChemistryCrystallographysymbols.namesakechloroantimonates(III)Chemical bondOctahedronphase transitionX-ray crystallographyMaterials ChemistryCeramics and CompositessymbolsOrthorhombic crystal systemPhysical and Theoretical ChemistryRaman spectroscopySingle crystalJournal of Solid State Chemistry
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CCDC 1972055: Experimental Crystal Structure Determination

2020

Related Article: Andreas Heilmann, Jamie Hicks, Petra Vasko, Jose M. Goicoechea, Simon Aldridge|2020|Angew.Chem.,Int.Ed.|59|4897|doi:10.1002/anie.201916073

potassium (27-di-t-butyl-N4N5-bis[26-di-isopropylphenyl]-99-dimethyl-9H-xanthene-45-diamine)-({[26-di-isopropylphenyl]imino}acetato)-aluminium benzene solvateSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 1972054: Experimental Crystal Structure Determination

2020

Related Article: Andreas Heilmann, Jamie Hicks, Petra Vasko, Jose M. Goicoechea, Simon Aldridge|2020|Angew.Chem.,Int.Ed.|59|4897|doi:10.1002/anie.201916073

potassium (27-di-t-butyl-N4N5-bis[26-di-isopropylphenyl]-99-dimethyl-9H-xanthene-45-diamine)-benzyl-(trimethylsilylamide)-aluminium benzene solvateSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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