Search results for "X-ray crystallography"

showing 4 items of 544 documents

Crystal structure and Hirshfeld surface analysis of [N(CH3)4][2,2′-Fe(1,7-closo-C2B9H11)2]

2017

Abstract This work investigates the meta -ferrabis(dicarbollide) anion that was isolated as salt of tetramethylammonium. The structure of the obtained crystal consisted of discrete [2,2′-Fe(1,7- closo -C 2 B 9 H 11 ) 2 ] − anions and disordered [N(CH 3 ) 4 ] + cations. The anion had a considerable chemical stability ensured by ionic and Van der Waals interactions. Thus, Hirshfeld surfaces and fingerprint plot were used to visualize, explore, and quantify intermolecular interactions in the crystal lattice of the title compound. This investigation proved that close contacts were dominated by H⋯H interactions.

structures: crystalsIonic bondingCrystal structure010402 general chemistrychemistry01 natural sciencesBiochemistryIonInorganic ChemistryCrystalchemistry.chemical_compoundsymbols.namesakeComputational chemistrymeta-carboraneMaterials ChemistryPhysical and Theoretical Chemistryta116x-ray crystallographyTetramethylammoniummetallabis(dicarbollide)010405 organic chemistryOrganic ChemistryIntermolecular forcex-ray technology0104 chemical sciencesCrystallographydihydrogen bondschemistrysymbolsChemical stabilityvan der Waals forceHirshfeld studyJournal of Organometallic Chemistry
researchProduct

Structural distortions in homoleptic (RE)4A (E = O, S, Se; A = C, Si, Ge, Sn): Implications for the CVD of tin sulfides

2001

The structures of Sn(SBut)4 and Sn(SCy)4 have been determined and adopt S4 and D2 conformations respectively; the anion [(PhS)Sn3]−, as its Ph4P+ salt, has a structure approaching Cs symmetry. In all three compounds, there are large variations in the ∠S–Sn–S within the same molecule, which have been rationalised in terms of the C–S–Sn–S–C conformations. For Sn(SR)4, the ∠S–Sn–S increases as the conformations change from trans, trans to trans, gauche and gauche, gauche, as the number of eclipsed lone pairs decreases and this rationale is shown to be applicable to a variety of A(ER)4 (A = C, Si, Ge, Sn; E = O, S, Se) and related [Mo(SR)4, Ga(SR)4−] systems. AM1 calculations have been used to …

tin sulfidesChemistryStereochemistryMössbauer spectroscopychemistry.chemical_elementGeneral ChemistryAM1 calculationsDecompositionIonCrystalchemistry.chemical_compoundCrystallographychemical vapour depositionSettore CHIM/03 - Chimica Generale E InorganicaMoleculeThin filmHomolepticTinLone pairX-ray crystallography
researchProduct

Deposition of tin sulfide thin films from tin(iv) thiolate precursors

2001

AACVD (aerosol-assisted chemical vapour deposition) using (PhS)(4)Sn as precursor leads to the deposition of Sn3O4 in the absence of H2S and tin sulfides when H2S is used as co-reactant. At 450 degreesC the film deposited consists of mainly SnS2 while at 500 degreesC SnS is the dominant component. The mechanism of decomposition of (PhS)(4)Sn is discussed and the structure of the precursor presented.

tin sulfidestin thiolatesMössbauer spectroscopybusiness.industryChemistryInorganic chemistrychemistry.chemical_elementGeneral ChemistryChemical vapor depositionDecompositionSemiconductorchemical vapour depositionSettore CHIM/03 - Chimica Generale E InorganicaX-ray crystallographyMaterials ChemistryThin filmbusinessElectronic band structureTinDeposition (chemistry)thermal decompositionJournal of Materials Chemistry
researchProduct

Discovery of α2β1 integrin ligands : tools and drug candidates for cancer and thrombus

2011

α2β1-integriiniliganditintegriinitintegriinisalpaajatα2β1 integrinthrombusrational drug discoverysyöpäkollageenitliganditveritulppacollagen receptor integrinsfarmakoforitX-ray crystallography
researchProduct