Search Results - International Union of Crystallography

Crystallization is a fundamental non-equilibrium process in materials science, yet its early transient states remain difficult to probe experimentally. Möller et al. [(2025). IUCrJ 12, 462–471] use femtosecond X-ray scattering and X-ray cross-correlation analysis to reveal the structural evolution o...

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Single-particle imaging at X-ray free-electron lasers relies on suitable sample injection of nanoscale macromolecules and particles into the gas phase at room temperature. A coaxial liquid-sheet strategy considerably extended the range of suitable samples to include conductivities from zero to 40000...

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The title compound, C19H14N2O3, features competition and interplay of a range of weak interactions, which actualize under the absence of conventional hydrogen-bond donors. Two kinds of stacking interactions, namely slipped antiparallel interactions of cyanophenyl groups as well as quinoline and carb...

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The Debye–Waller factor, introduced a century ago, remains a fundamental component in the refinement of crystal structures against X-ray, neutron and electron diffraction data. This review marks its centenary by exploring its applications in small-molecule crystallography. We provide a historical ov...

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In the title coordination complex, (C4H8N3S2)2[Cu(C6H4NO2)2(ClO4)2], the CuII center exhibits a distorted octahedral geometry with an equatorial plane formed by two bidentate picolinato ligands and axial coordination from two perchlorate anions, consistent with a Jahn–Teller distortion. The crystal...

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A 1.6 m-long 16 mm-period superconducting undulator (SCU16) has been installed and commissioned at the Australian Synchrotron. The SCU16, developed by Bilfinger, is based on the SCU20 currently operating at Karlsruhe Institute of Technology (KIT). The SCU16 is conduction cooled with a maximum on-axi...

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There is a need for fast, efficient and accurate solid-state structure optimization for imprecise crystal structures (`augmentation') for subsequent property prediction in the pharmaceutical industry. Crystal structures from single-crystal X-ray, 3D electron or powder diffraction are widely ava...

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Magnetic vector tomography allows for visualizing the 3D magnetization vector of magnetic nanostructures and multilayers with nanometric resolution. In this work, we present MARTApp (Magnetic Analysis and Reconstruction of Tomographies Application), a software designed to analyze the images obtained...

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In the title compound, C14H9FN2O, the dihedral angle between the imidazo–pyridine fused ring system and the pendant fluorophenyl ring is 53.77 (4)°. In the crystal, C—H...O and C—H...F hydrogen bonds link the molecules into a three-dimensional network. A Hirshfeld surface analysis of the crystal str...

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The title compound, C19H15NO, contains a pyrene ring system, consisting of four fused benzene rings arranged in a planar configuration. In the crystal, intermolecular O—H...N hydrogen bonds link the molecules into infinite chains along the c-axis direction. π–π stacking interactions between the benz...

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The structures of three 4-methylpyridinium tetrahalogenidoaurate(III) halides, one also including a dichloroiodate(I) anion, are presented. Bis(4-methylpiperidinium) tetrabromidoaurate(III) bromide, (4-Me-pipH)2[AuBr4]Br, 1, crystallizes in space group C2/c with Z = 4. The gold atom lies on the inve...

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We report on the commissioning of an ultrafast timing diagnostic for measuring a time-offset signal between two different synchronized ultrashort light pulses. The method is based on sum-frequency generation in a nonlinear crystal. The setup is similar to an auto/cross-correlator setup. In this case...

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An advanced imaging platform has been developed to study the microstructural solidification behaviors of metals using synchrotron white X-rays. This system provides submicrometre effective pixel size and a frame rate of thousands per second, enabling high-resolution and high-speed imaging. The syste...

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In this study, the flexibility of the multipole Hansen–Coppens (HC) model refinement is investigated on calculated structure factors from a DFT reference for the tetrakis(μ-acetato)diaquadicopper model system (CCDC reference 1811668). The effect of the resolution [sin(θ)/λ], the Cu scattering factor...

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Icosahedrite, natural icosahedral Al63Cu24Fe13, was discovered in a meteorite about 15 years ago. We have carried out a high-resolution X-ray diffraction study on a sample of this meteoritic mineral at the ESRF. The diffraction pattern turned out to be identical to an intermediate phase observed in...

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The crystal structure of the title tetrahalogenated bicyclononane, C9H12Br2Cl2, is reported. The molecule adopts a distorted twist-chair conformation. The cyclopropane ring is almost parallel to the plane formed by the four methylene carbon atoms.

The solvated title compound, [Pd(C5H5NO2)(C28H38N2O2P2)]·0.5C7H8, consists of a palladium(0) atom coordinated by a chelating α,α′-bis[(tert-butyl)(6-methoxypyridin-2-yl)phosphino]o-xylene ligand and an η2-coordinating N-methylmaleinimide molecule to generate a 16 electron complex in which the metal...

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With the rapid development of X-ray free-electron lasers (XFELs) that can generate ultrashort X-ray pulses with a duration range from attoseconds to femtoseconds, the study of ultrashort XFEL pulse propagation in beamline systems is increasingly important, especially in dispersive beamline systems....

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Vanadium in basic-oxygen-furnace (BOF) slags is particularly interesting regarding the recovery of this element, which has been further strengthened by its inclusion in the list of critical raw materials by the European Union in 2017. As BOF slags can have a significant vanadium content, they contin...

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The title compounds, C23H22O4, (I), and C24H24O5, (II), differ in the presence of a methoxy group instead of a hydrogen atom between two methoxy groups attached to the phenyl ring of the phenyl acetate moiety, which affects not only the symmetry and number of formula units [triclinic, P1, Z = 2 for...

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