Search results for "Crystal Structure"

showing 10 items of 15036 documents

CCDC 879902: Experimental Crystal Structure Determination

2013

Related Article: J.Vallejo,I.Castro,M.Deniz,C.Ruiz-Perez,F.Lloret,M.Julve,R.Ruiz-Garcia,J.Cano|2013|Polyhedron|52|1246|doi:10.1016/j.poly.2012.06.032

tris(mu~2~-oxalato)-bis(oxalato)-tetrakis(22'-bipyridine)-di-chromium-di-copper hexahydrateSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 1951519: Experimental Crystal Structure Determination

2019

Related Article: Walter Cañón-Mancisidor, Matias Zapata-Lizama, Patricio Hermosilla-Ibáñez, Carlos Cruz, Diego Venegas-Yazigi, Guillermo Mínguez Espallargas|2019|Chem.Commun.|55|14992|doi:10.1039/C9CC07868A

tris(tetra-n-butylammonium) (mu-phosphato)-(mu-hydroxo)-tricosakis(mu-oxido)-bis(110-phenanthroline)-undecakis(oxido)-undeca-tungsten(vi)-gadolinium(iii) monohydrateSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 1482839: 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

tris(tetra-n-butylammonium) octadecakis(mu-oxido)-octakis(mu-methoxo)-bis((4-nitrophenyl)diazene)-octaoxo-deca-molybdenum-dysprosium chloroform solvateSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 2043144: Experimental Crystal Structure Determination

2021

Related Article: E. Pilichos, M. Font-Bardia, A. Escuer, J. Mayans|2021|Dalton Trans.|50|1746|doi:10.1039/D0DT04224B

tris[nitrato]-{NN'-(cyclohexane-12-diyl)bis[1-(pyridin-2-yl)methanimine]}-(methanol)-cerium(iii)Space GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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Thermodynamically driven self-assembly of pyridinearene to hexameric capsules

2019

Pyridinearene macrocycles have previously shown unique host–guest properties in their capsular dimers including endo complexation of neutral molecules and exo complexation of anions. Here, we demonstrate for the first time the formation of hydrogen bonded hexamer of tetraisobutyl-octahydroxypyridinearene in all three states of matter – gas phase, solution and solid-state. Cationic tris(bipyridine)ruthenium(II) template was found to stabilize the hexamer in gas phase, whereas solvent molecules do this in condensed phases. In solution, the capsular hexamer was found to be the thermodynamically favoured self-assembly product and transition from dimer to hexamer occurred in course of time. The …

vetysidokset010405 organic chemistryChemistryHydrogen bondDimerOrganic ChemistryIntermolecular forceCrystal structureRandom hexamer010402 general chemistry01 natural sciencesBiochemistry0104 chemical sciencesSolventchemistry.chemical_compoundBipyridineCrystallographysupramolekulaarinen kemiaMoleculePhysical and Theoretical Chemistry
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Conformational Dynamics of the Dengue Virus Protease Revealed by Fluorescence Correlation and Single-Molecule FRET Studies.

2021

The dengue virus protease (DENV-PR) represents an attractive target for counteracting DENV infections. It is generally assumed that DENV-PR can exist in an open and a closed conformation and that active site directed ligands stabilize the closed state. While crystal structures of both the open and the closed conformation were successfully resolved, information about the prevalence of these conformations in solution remains elusive. Herein, we address the question of whether there is an equilibrium between different conformations in solution which can be influenced by addition of a competitive inhibitor. To this end, DENV-PR was statistically labeled by two dye molecules constituting a FRET …

virusesFluorescence correlation spectroscopyCrystal structureDengue virusViral Nonstructural Proteins010402 general chemistrymedicine.disease_cause01 natural sciencesCatalytic Domain0103 physical sciencesMaterials ChemistrymedicineFluorescence Resonance Energy TransferMoleculePhysical and Theoretical Chemistry010304 chemical physicsbiologyChemistrySerine EndopeptidasesActive siteSingle-molecule FRETDengue VirusFluorescence0104 chemical sciencesSurfaces Coatings and FilmsFörster resonance energy transferbiology.proteinBiophysicsThe journal of physical chemistry. B
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Cadmium Metal–Organic Frameworks Based on Ditopic Triazamacrocyclic Linkers: Unusual Structural Features and Selective CO 2 Capture

2017

International audience; Two three-dimensional cadmium metal organic frameworks with general formula [Cd-2(L-1)(H2O)(3)](NO3)(0.7)(HCOO)(0.2)Br-0.1 (Cd2L1, L-1 = 1,4,7-tris(4-carboxybenzy1)-1,4,7-triazacyclononane) and Cd(HL2)(H2O)(2) (CdL2, L-2 = 1,4,7-tris(3-(4-benzoate)prop-2-yn-1-yl)-1,4,7-triazacydononane) based on 1,4,7-triazacyclononane N-functionalized by different arylcarboxylic acids were prepared under solvothermal conditions and characterized by single crystal X-ray analysis and porosity measurements. The crystal structure of Cd2L1 reveals a cationic net with a bcs topology,. and nodes are constituted by dinuclear cadmium complexes, in which each cadmium atom adopts a hexacoordin…

zeolitic imidazolate frameworksInorganic chemistrycopper-complexeschemistry.chemical_element02 engineering and technologyCrystal structure010402 general chemistry01 natural sciences[ CHIM ] Chemical Sciencescarbon-dioxide capturechemistry.chemical_compound[ CHIM.CRIS ] Chemical Sciences/Cristallography[CHIM.CRIS]Chemical Sciences/Cristallography[CHIM]Chemical Sciencesambient conditionsGeneral Materials ScienceCarboxylatebuilding unitsPorositywater stabilityTopology (chemistry)CadmiumCationic polymerizationgas-adsorptionGeneral Chemistry[CHIM.MATE]Chemical Sciences/Material chemistry021001 nanoscience & nanotechnologyCondensed Matter Physicsporous coordination polymers0104 chemical sciences3. Good healthCrystallographysingle-crystalchemistrystructure validation[ CHIM.MATE ] Chemical Sciences/Material chemistryAmine gas treating0210 nano-technologySingle crystal
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CCDC 1578284: Experimental Crystal Structure Determination

2018

Related Article: Arnau Call, Federico Franco, Noufal Kandoth, Sergio Fernández, María González-Béjar, Julia Pérez-Prieto, Josep M. Luis, Julio Lloret-Fillol|2018|Chemical Science|9|2609|doi:10.1039/C7SC04328G

{1-[(4-chloropyridin-2-yl)methyl]-47-dimethyl-147-triazonane}-bis(trifluoromethanesulfonato)-cobalt(ii)Space GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 1578288: Experimental Crystal Structure Determination

2018

Related Article: Arnau Call, Federico Franco, Noufal Kandoth, Sergio Fernández, María González-Béjar, Julia Pérez-Prieto, Josep M. Luis, Julio Lloret-Fillol|2018|Chemical Science|9|2609|doi:10.1039/C7SC04328G

{1-[(4-methoxy-35-dimethylpyridin-2-yl)methyl]-47-dimethyl-147-triazonane}-bis(trifluoromethanesulfonato)-cobalt(ii)Space GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 1917751: Experimental Crystal Structure Determination

2019

Related Article: Víctor García-López, Mario Palacios-Corella, Verónica Gironés-Pérez, Carlos Bartual-Murgui, José Antonio Real, Eric Pellegrin, Javier Herrero-Martín, Guillem Aromí, Miguel Clemente-León, Eugenio Coronado|2019|Inorg.Chem.|58|12199|doi:10.1021/acs.inorgchem.9b01526

{26-bis[5-([11'-biphenyl]-4-yl)-1H-pyrazol-3-yl]pyridine}-[26-bis(1H-pyrazol-1-yl)pyridine-4-carboxylic acid]-iron bis(perchlorate) acetone solvateSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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