Search results for "Crystal"

showing 10 items of 22886 documents

CCDC 1873575: Experimental Crystal Structure Determination

2019

Related Article: Angeliki A. Athanasopoulou, Luca M. Carrella, Eva Rentschler|2019|Dalton Trans.|48|4779|doi:10.1039/C9DT00552H

hexakis(piperidin-1-ium) bis(tris(mu-2-oxidobenzene-1-carbohydroximato)-hexakis(mu-N2-dioxidobenzene-1-carboximidato)-hexa-iron-terbium) tris(piperidine) tritriacontahydrateSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
researchProduct

CCDC 2041018: Experimental Crystal Structure Determination

2021

Related Article: Goulielmina Anyfanti, Antonio Bauzá, Lorenzo Gentiluomo, João Rodrigues, Gustavo Portalone, Antonio Frontera, Kari Rissanen, Rakesh Puttreddy|2021|Frontiers in Chemistry|9||doi:10.3389/fchem.2021.623595

hexamethylenetetramine dibromineSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
researchProduct

CCDC 1918141: Experimental Crystal Structure Determination

2019

Related Article: Megalamane S. Bootharaju, Hogeun Chang, Guocheng Deng, Sami Malola, Woonhyuk Baek, Hannu Häkkinen, Nanfeng Zheng, Taeghwan Hyeon|2019|J.Am.Chem.Soc.|141|8422|doi:10.1021/jacs.9b03257

hexatriacontakis(mu-phenylselanyl)-dodeca-cadmium-dotriaconta-silverSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
researchProduct

Comment on "Crystallographic Snapshot of an Arrested Intermediate in the Biomimetic Activation of CO2"

2015

Out of focus: A recent Communication published in this journal describes the synthesis of [nBu4N]HCO3. The authors performed a single-crystal X-ray study that revealed a putative species described as an incipient hydroxide ion engaging in a long, and presumably weak, interaction with CO2. Our recent exploration of the coordination chemistry of CO2 with small ions leads us to believe that such an exceptional bonding situation is unlikely. Instead, we argue that the crystal structure is that of [nBu4N]O2CCH3 and therefore not representative of the bulk powder from the synthesis. peerReviewed

hiilidioksidiX-ray crystallography [structure elucidation]kiderakenteen ratkaisulaskennallinen kemiaröntgenkristallografia
researchProduct

Comment on “Crystallographic Snapshot of an Arrested Intermediate in the Biomimetic Activation of CO2”

2015

Out of focus: A recent Communication published in this journal describes the synthesis of [nBu4 N]HCO3 . The authors performed a single-crystal X-ray study that revealed a putative species described as an incipient hydroxide ion engaging in a long, and presumably weak, interaction with CO2 . Our recent exploration of the coordination chemistry of CO2 with small ions leads us to believe that such an exceptional bonding situation is unlikely. Instead, we argue that the crystal structure is that of [nBu4 N]O2 CCH3 and therefore not representative of the bulk powder from the synthesis.

hiilidioksidichemistry.chemical_classificationMolecular StructureGeneral ChemistryCrystal structureCarbon Dioxidelaskennallinen kemiaCrystallography X-Raycomputational chemistryCatalysisstructure elucidation: X-ray crystallographyCoordination complexchemistry.chemical_compoundCrystallographychemistryBiomimeticsX-ray crystallographyHydroxideMoleculekiderakenteen ratkaisuta116röntgenkristallografiaAngewandte Chemie International Edition
researchProduct

Recognition of alkali metal halide contact ion pairs by uranyl-salophen receptors bearing aromatic sidearms. The role of cation-pi interactions.

2005

Hard anions have long been known to bind strongly to the uranium of uranyl-salophen complexes. Upon functionalization of the salophen framework with one or two benzyloxy substituents, efficient ditopic receptors for alkali metal ions are obtained. The solid-state structures of complexes formed by the two-armed receptor 1 with CsF and with the chlorides of K+, Rb+, and Cs+ reported here reveal the existence of dimeric supramolecular assemblies in which two receptor units assemble into capsules fully enclosing (MX)2 ion quartets. In addition to the strong coordinative binding of the anion to the uranyl center and to electrostatic cation-anion interactions, stabilizing interactions arise from …

host-guest recognitionStereochemistrySupramolecular chemistryGeneral ChemistryCrystal structureAlkali metalUranylBiochemistrysupramolecular chemistryCatalysisIonchemistry.chemical_compoundCrystallographyalkaly metal ions. ditopic receptorsColloid and Surface ChemistrychemistryAlkali metal halideX-ray crystallographyReceptorJournal of the American Chemical Society
researchProduct

Imaging connected porosity of crystalline rock by contrast agent-aided X-ray microtomography and scanning electron microscopy

2018

We set out to study connected porosity of crystalline rock using X‐ray microtomography and scanning electron microscopy with energy dispersive X‐ray spectroscopy (SEM‐EDS) with caesium chloride as a contrast agent. Caesium is an important radionuclide regarding the final deposition of nuclear waste and also forms dense phases that can be readily distinguished by X‐ray microtomography and SEM‐EDS. Six samples from two sites, Olkiluoto (Finland) and Grimsel (Switzerland), where transport properties of crystalline rock are being studied in situ, were investigated using X‐ray microtomography and SEM‐EDS. The samples were imaged with X‐ray microtomography, immersed in a saturated caesium chlorid…

huokoisuusspektrometriatomografiacrystalline rockX-ray microtomographyröntgentutkimuselektronimikroskopiaenergy dispersive X-ray spectrometryConnected porositykiviscanning electron microscopy
researchProduct

CCDC 2060888: Experimental Crystal Structure Determination

2021

Related Article: Lucija Ptiček, Lucija Hok, Petra Grbčić, Filip Topić, Mario Cetina, Kari Rissanen, Sandra Kraljević Pavelić, Robert Vianello, Livio Racané|2021|Org.Biomol.Chem.|19|2784|doi:10.1039/D1OB00235J

hydrogen bis(2-(3-amino-4-oxyphenyl)-45-dihydro-1H-imidazol-3-ium) chloride tetrahydrateSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
researchProduct

Crystal structure and Hirshfeld surface analysis of (2E)-3-(3-bromo-4-fluorophenyl)-1-(3,4-dimethoxyphenyl)prop-2-en-1-one

2018

The title compound is constructed from two aromatic rings (3-bromo-4-fluoro­phenyl and 3,4-di­meth­oxy­phen­yl), which are linked by a C=C—C(=O)—C enone bridge and form a dihedral angle of 17.91 (17)°. In the crystal, mol­ecules are linked by C—H⋯O hydrogen bonds enclosing rings of (14) graph-set motif to form layers parallel to (10).

hydrogen contactsdi­meth­oxy­phenyl ringcrystal structureHydrogenchemistry.chemical_elementCrystal structureDihedral angle010402 general chemistry010403 inorganic & nuclear chemistry01 natural sciencesResearch CommunicationsCrystalsymbols.namesakechemistry.chemical_compound3-bromo-4-fluorophenyl ringGeneral Materials Sciencedimethoxyphenyl ring3-bromo-4-fluoro­phenyl ringCrystallographyHydrogen bondHirshfeld surfaceAromaticityGeneral ChemistryCondensed Matter::Mesoscopic Systems and Quantum Hall EffectCondensed Matter Physics0104 chemical sciencesCrystallographychemistryQD901-999symbolsvan der Waals forceEnoneActa Crystallographica Section E Crystallographic Communications
researchProduct

Structural and Electrochemical Analysis of CIGS: Cr Crystalline Nanopowders and Thin Films Deposited onto ITO Substrates

2021

A new approach for the synthesis of nanopowders and thin films of CuInGaSe2 (CIGS) chalcopyrite material doped with different amounts of Cr is presented. The chalcopyrite material CuInxGa1 − xSe2 was doped using Cr to form a new doped chalcopyrite with the structure CuInxCryGa1 − x − ySe2, where x = 0.4 and y = 0.0, 0.1, 0.2, or 0.3. The electrical properties of CuInx CryGa1 − x − ySe2 are highly dependent on the Cr content and results show these materials as promising dopants for the fabrication thin film solar cells. The CIGS nano-precursor powder was initially synthesized via an autoclave method, and then converted into thin films over transparent substrates. Both crystalline precursor p…

hydrothermalMaterials scienceGeneral Chemical Engineeringchalcopyrite compounds02 engineering and technology010402 general chemistry01 natural sciencesArticlenanocrystalsspin coatingGeneral Materials ScienceThin filmQD1-999Cèl·lules fotoelèctriquesSpin coatingEISDopantChalcopyriteDoping021001 nanoscience & nanotechnologyCopper indium gallium selenide solar cells0104 chemical sciencesDielectric spectroscopyElectroquímicaChemistryNanocrystalChemical engineeringvisual_artvisual_art.visual_art_mediumconductivityMaterials nanoestructurats0210 nano-technology
researchProduct