Acta Crystallographica Section A
Acta Crystallographica
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Volume 74| Part a2

ISSN: 2053-2733

August 2018 issue

Abstracts of the 31st European Crystallography Meeting

Oviedo, Spain, 22-27 August 2018

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abstracts

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Crystallography in the 21st century: the age of electron?

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A tale in two parts: how a search for antivirulence compounds led to the discovery of a shapeshifting copper resistance protein

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The vocabulary of protein–DNA interactions: symmetry, degeneracy, modifications

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The joy of seeing – in honour of Dorothy Hodgkin

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Understanding and using likelihood in structural biology

R. Read, R. Oeffner and A. McCoy

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How do CRISPR-Cas RNA-guided endonucleases cut specific DNA regions for genome editing?

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The roots of quantum crystallography

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Application of advanced transmission electron microscopy techniques to structure solution and refinement of complex inorganic materials

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Biomolecular structure determination by electron diffraction of 3D microcrystals

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Exotic topochemical alteration of the cationic sublattices in oxides: the complex crystallography behind

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Complex structures of minerals at Deep Earth conditions: experiments and perspectives

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Hydrides: from hydrogen storage to porous systems, structural design and solid electrolytes

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Vagando entre los picos – ¿cómo llegué hasta aquí? Improving methods in data collection and processing

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Free-standing nanostructures at atomic scale: from growth mechanisms to local properties

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Taking on the next structural challenges posed by polycrystalline materials

L. McCusker and C. Baerlocher

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New insights into making and breaking crystals

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Porous crystalline architectures: ultra-fast molecular rotors and dynamics control by gas stimuli

A. Comotti, F. Castiglioni, S. Bracco, A. Pedrini and J. Perego

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Transforming co-crystals from form to function: fact, fancy and great expectations

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VMXm: a new micro/nanofocus protein crystallography beamline at Diamond

A. Warren, G. Evans, J. Trincao, E. Beale, A. Crawshaw, G. Duller, A. Stallwood, M. Lunnon and D. Butler

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Applications for serial crystallography at synchrotrons

T. Weiner, D. James, P. Nogly, M. Wang and J. Standfuss

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Serial protein crystallography in living insect cells

J. M. Rudolph, R. Schönherr and L. Redecke

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Nanobeam precession-assisted 3D electron diffraction reveals a new lysozyme polymorph

A. Lanza, V. Cappello, E. Margheritis, E. Mugnaioli, M. Gemmi and G. Garau

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Serial micro- and nano-crystallography at the European XFEL: capabilities of and first results from the SPB/SFX instrument

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Achieving higher performance in high-throughput compound and fragment screening campaigns by using 'Club Class' data collection, Pipedream and CRIMS

G. Bricogne, C. Flensburg, P. Keller, W. Paciorek, A. Sharff, C. Vonrhein, J. A. Marquez and D. Musil

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The ultimate experiment

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ARCIMBOLDO_SHREDDER: making the most of good data despite having only a poor homolog

C. L. Millán Nebot, M. D. Sammito, A. J. McCoy, R. D. Oeffner, T. Domínguez-Gil, J. A. Hermoso, R. J. Read and I. Usón

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Ctrl-D, a versatile tool for analyzing processed diffraction data

F. Dall'Antonia, G. Bourenkov and T. Schneider

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Optimized diffraction data collection for native SAD phasing

N. Matsugaki, Y. Yamada, M. Hiraki, A. Harada, M. Senda and T. Senda

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All is fair in phasing: the combined artillery in ARCIMBOLDO

I. Usón, C. Millán, M. Sammito, R. J. Borges, N. Soler, I. Caballero and A. Medina

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Structural and mechanistic insights into DNA transposition facilitate genetic tool development

O. Barabas, I. Querques, C. Zuliani, F. Voigt, L. Wiedemann, C. Miskey and Z. Ivics

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Observations of ultra-fast light-induced processes in proteins using time-resolved serial femtosecond crystallography

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Solving the phase problem with long-wavelength X-ray diffraction

R. Duman, A. Wagner, K. El Omari and V. Mykhaylyk

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Sample triggering and delivery for time-resolved studies of proteins

D. Monteiro, H. Tidow, A. Pearson and M. Trebbin

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Biophysical methods for analyzing protein quality

A. Roos and Y. Andersson

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Towards a better understanding of the nucleation process and advanced detection of nanocrystals

C. Betzel, R. Schubert, Q.-D. Cheng, H.-Y. Chung, S.-H. Chia, G. Chang, F. X. Kärtner, M. Perbandt and C. Betzel

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The attachment of the Lactobacillus surface-layer array to the bacterial cell

E. Damisch, M. Eder, A. Dordic, K. Mohan, P. Das, U. Hynönen, A. Palva, J. Vonck, M. Oberer and T. Pavkov-Keller

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Synthesis and characterization of cross-linked lysozyme crystals filled with single-walled carbon nanotubes – bionanomaterials

G. Escolano, R. Contreras-Montoya, J. J. Díaz-Mochón, L. Álvarez de Cienfuegos and J. A. Gavira

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Prototyping protein expression constructs with PCR, cell-free expression and fluorescence detection size exclusion chromatography

M. Bommer and U. Heinemann

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X-ray free-electron laser: opportunities for drug discovery

M. Hennig, R. Cheng and R. Abela

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From fragments to in vivo activity using X-ray crystallography: the discovery of potent inhibitors of the KEAP1-NRF2 protein–protein interaction

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Effective crystal structures in pharmaceutical development

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High-throughput crystallographic fragment screening for drug discovery

A. Metz, F. Huschmann, J. Schiebel, U. Müller, M. Weiss, A. Heine and G. Klebe

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Structure-based design of inhibitors targeting PrfA, the master virulence regulator in Listeria monocytogenes

E. Sauer-Eriksson, M. Kulén, M. Lindgren, C. Grundström, U. H. Sauer, J. Johansson and F. Almqvist

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Unveiling (class III) transcription through integrative structural biology

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A hub for 3′-end processing: structural insights into mRNA polyadenylation

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Structural insights into the recognition between tri-ubiquitin and ubiquitin binding protein

Y.-C. Lo, S.-M. Lin and S.-C. Lin

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The structural biology of mitochondrial respiratory complex assembly

M. Maher, S. Maghool, A. Herath, S. Udagedara, D. Dougan, D. Stroud, M. Ryan and K. Truscott

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The structural organization of substrate loading in iterative polyketide synthases

R. Jakob, D. A. Herbst, C. R. Huitt-Roehl, J. M. Kravetz, P. A. Storm, J. R. Alley, C. A. Townsend and T. Maier

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Structure and function of the spliceosome

R. Zhao, X. Li, S. Liu, L. Zhang, J. Jiang, S. Espinosa, R. Hill, K. Hansen and H. Zhou

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Post-translational regulation of gene expression in the immune system by Roquin/RC3H1 and ribonucleases of the Regnase/ZC3H12/MCPIP family

U. Heinemann, A. Garg, Y. Roske and A. Schütz

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Molecular mechanism of the TP901-1 lysogeny switch

L. Lo Leggio, K. K. Rasmussen, A. K. Varming, K. E. H. Frandsen, P. W. Thulstrup, M. Kilstrup, K. Hammer and M. R. Jensen

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Crystal structure of TraN, a regulator of conjugative DNA transfer, in complex with its cognate DNA binding site

W. Keller, V. Kohler, N. Goessweiner-Mohr, A. Aufschnaiter, C. Fercher, I. Probst, T. Pavkov-Keller, K. Hunger and H. Wolinskiv

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RNA specificity of NHL domains revisited: LIN-41/TRIM71 binds a defined RNA stem-loop element via shape and electrostatic complementarity

H. Gut, P. Kumari, F. Aeschimann, D. Gaidatzis, J. J. Keusch, A. Neagu, K. Pachulska-Wieczorek, H. Grosshans and R. Ciosk

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P-type ATPase inhibitors: something old, something new, leads to follow and some new clues

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Membrane transport by proteins of the 7+7 inverted repeat superfamily: variation on a theme

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What we have learned about membrane-bound pyrophosphatases (mPPases) from X-ray crystallography, MD simulations, FRET and PELDOR

S. Harborne, N. Shah, C. Wilkinson, C. Pliotas, S. Harris, R. Tuma and A. Goldman

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Structural and functional studies on a prokaryotic homologue of the mammalian SLC7 cationic amino acid transporters

K. Jungnickel, J. Parker and S. Newstead

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The structure of RVFV fusion protein reveals a lipid binding pocket conserved in class-II fusion proteins

P. Guardado Calvo, K. Atkovska, J. Hub and F. Rey

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Kinetic X-ray crystallography to watch proteins in action

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Structure, function and inhibitors of the Helicobacter pylori acid acclimation system, an essential component for chronic infection

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Structure determination of lytic polysaccharide monooxygenases interactions with substrate

T. Tandrup, K. E. H. Frandsen, T. J. Simmons, J.-C.N. Poulsen, L. F. L. Wilson, J.-C.N. Poulsen, K. S. Johansen, P. Dupree and L. Lo Leggio

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Structure and mechanism of C-acyltransferase from Pseudomonas protegens

T. Pavkov-Keller, N. G. Schmidt, A. Żądło-Dobrowolska, W. Kroutil and K. Gruber

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Structural snapshots of multiple enzyme–ligand complexes pave the road for semi-rational enzyme engineering

Z. Bata, B. Molnár, I. Leveles, A. Varga, C. Paizs, L. Poppe and B. G. Vértessy

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An aminophenothiazine inhibitor of the NCS-1/Ric8a complex regulates synaptic function in fragile X syndrome

M. J. Sanchez-Barrena, A. Mansilla, A. Chaves-Sanjuán, N. Campillo, O. Semelidou, L. Martínez-González, E. Skoulakis, A. Ferrús and A. Martínez

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Selective protonation and stereoelectronic effects govern catalysis in a pyridoxal-5′-phosphate-dependent enzyme

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Structural, spectroscopic and physicochemical investigations of new cocrystals of diamines and alcohols

G. Cichowicz, L. Dobrzycki, R. Boese and M. Cyrański

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Accurate hydrogen-atom positions from standard X-ray data: Hirshfeld atom refinement and Olex2

H. Puschmann and O. Dolomanov

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Joint X-ray and neutron protein crystallography for the study of enzyme-isoform selectivity by small-molecule inhibitors

Z. Fisher, K. Koruza, B. Mahon, M. Blakeley, T. Schrader, A. Ostermann, W. Knecht and R. McKenna

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Structural basis of human mitochondrial transcription

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Structural and functional insight into human O-GlcNAcase

C. Roth, S. Chan, W. Offen, L. Willems, D. King, R. Britton, D. Vocadlo and G. Davies

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Grouper iridovirus GIV66: a Bcl-2 protein that inhibits apoptosis by exclusively sequestering Bim

S. Caria, S. Banjara, T. M. Ryan and M. Kvansakul

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Crystal structures of bacteriophage receptor binding proteins

M. J. van Raaij, M. Sanz-Gaitero, A. Pichel-Beleiro and M. Seoane-Blanco

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Structural basis for RpoS regulation via ClpXP adaptor/anti-adaptor pairs

A. Deaconescu, V. Dorich, M. Suhanovsky, A. Tripathi, S. Tong, C. Brugger, J. Hoskins, S. Wickner and S. Gottesman

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Using evolutionary couplings to predict contacts and build structures

K. Brock, C. Sander and D. Marks

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CATH FunFams for domain boundary recogntion and template selection

C. Orengo, I. Sillitoe, S. Das and J. Lees

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Exploiting residue–residue contact information beyond structure predictions in molecular replacement

F. Simkovic, S. de Oliveira, C. Deane and D. J. Rigden

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ALEPH: a network-oriented approach to structure mapping and comparisons

M. D. Sammito, A. Medina, C. Millán, R. J. Borges and I. Usón

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Validation and quality assessment of macromolecular structures using complex network analysis

J. Pražnikar, M. Tomić and D. Turk

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Insights into water–rock interactions in meteorites from diffraction tomography

A. Elmaleh, J. P. Wright, B. Baptiste, S. C. Tarantino, B. Doisneau, E. Elkaim and D. Troadec

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Synchrotron X ray powder diffraction for the study of cutting-edge zeolite applications

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Cation migrations and Bronsted site formation in NH₄ form of zeolite omega: a combined in situ time-resolved synchrotron and neutron powder diffraction study

G. Beltrami, A. Martucci, F. Di Renzo, A. Alberti, M. de Lourdes Guzman-Castillo and F. Fajula

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The system Na₂O–CaO–SiO₂: 90 years of research, but do we really know everything?

V. Kahlenberg and D. Schmidmair

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Structural resolution of inorganic nanotubes with complex stoichiometry

G. Monet, M. S. Amara, S. Rouzière, E. Paineau and P. Launois

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Investigation of the structure of the modulated doubly ordered perovskite NaLaCoWO₆ and its reversible phase transition with a colossal temperature hysteresis

C. V. Colin, P. Zuo, C. Darie and H. Klein

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Crystallography at the order–disorder borderline: characterization of nanodomains by electron diffraction and imaging

E. Mugnaioli, M. Gemmi, I. V. Rozhdestvenskaya, M. Czank, W. Depmeier, J. David, G. Bertoni, L. De Trizio and L. Manna

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Ice-like disorder and phase transitions in cadmium cyanide

C. Coates, M. Baise, A. Simonov, J. Makepeace, A. Seel, B. Slater and A. Goodwin

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Al/Si ordering in mullite

P. B. Klar, I. Etxebarria and G. Madariaga

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Nanocluster model and its application for crystal structure prediction of complex intermetallics

T. Akhmetshina, P. Solokha, R. Eremin, V. Blatov, D. Proserpio, S. De Negri and A. Saccone

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Crystallography applied to the Earth's lower mantle

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Mars mineralogy: the EXOMARS 2020 approach

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Crystallographic characterization and 3D modelling of synthetic plagioclases: a better understanding of morphologies, connectivity and size distribution depending on temperature

C. Charles, E. Ottavi-Pupier, J. Duquennoy, M. Nakamura, S. Okumura, A. Tsuchiyama, K. Uesugi and M. Uesugi

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Natural phosphides as indicators of planetary systems evolution

S. Britvin, M. Murashko, M. Krzhizhanovskaya, Y. Vapnik and S. Krivovichev

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In situ studies of clathrate hydrates on icy Solar System bodies

S. Day, E. Saf, S. P. Thompson, A. Evans, C. Murray and J. Parker

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Novel structures of U minerals and compounds: from natural to synthetic crystals

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New functional ferroics through crystallography

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Metal–organic frameworks with controllable arrangements of multiple metal cations

C. Castillo, V. A. de la Peña-O'Shea, I. Puente-Orench, E. Gutierrez-Puebla, F. Gándara and M. A. Monge

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Disorder–order transitions in the perovskite metal–organic frameworks [(CH₃)₂NH₂][M(HCOO)₃] at high pressure

I. Collings, M. Bykov, E. Bykova, M. Hanfland, S. van Smaalen, L. Dubrovinsky and N. Dubrovinskaia

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Lattice gas models and thermodynamics of gas uptake by porous materials from diffraction experiments

D. Chernyshov, I. Dogaliuk and Y. Filinchuk

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Cracking the structural and morphogenetic basis of tooth biomineralization in snail-crushing cichlid fishes

E. Sturm, J. Knaus, C. Kratochwil, D. Carnelli, J. Segmehl, S. Chen, B. Wu, M. Krumova and S. Sturm

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Crystallization of biomimetic calcite aggregates in hydrogel systems

L. Fernández-Díaz, E. Griesshaber, X. Yin, F. Nindiyasari, M. Greiner, F. Weitzel, A. Ziegler and W. Schmahl

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Induced nucleation of biomimetic calcium phosphates on 3D-printed porous polymer micro-scaffolds

J. Gómez-Morales, L. A. González-Ramírez, Y. Vitry, P. Lambert and I. Rodríguez-Ruiz

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The directing effects of bacterial EPS and artificial hydrogel matrices on calcite crystal organization in EPS–hydrogel–calcite composite aggregates

X. Yin, F. Weitzel, E. Griesshaber, C. Jimínez-López, L. Fernández-Díaz, A. Ziegler, A. Rodríguez-Navarro and W. W. Schmahl

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Crystallographic characterisation of fluorapatite-based glass ceramics synthesised from industrial waste

S. Schmid and C. W. Loy

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X-ray diffraction studies of mineral phase transitions under shock compression

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High-pressure studies on magnetocaloric materials

K. Friese, A. Eich, P. Hering, M. Meven and A. Grzechnik

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Crystallographic phase transition in single-crystal and powder form, probed by in situ X-ray diffraction under pressure

E. Tailleur, M. Marchivie, P. Rosa, J.-P. Itié and P. Guionneau

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Penta- and octahedrally coordinated P and Be in high-pressure phases of CaB₂Si₂O₈

A. Pakhomova, G. Aprilis, M. Bykov, L. Gorelova, S. Krivovichev and L. Dubrovinsky

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Thermal diffuse scattering. A novel approach for probing elasticity at extreme conditions

B. Wehinger and A. Mirone

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Carbon dioxide fixation in succulent plants: a crystal engineering, solid-state modelling and kinetics approach

E. Botha and A. Roodt

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Operando neutron diffraction study of crystal structure changes in LiNi_0.8Co_0.15Al_0.05O₂ cathode material

I. Bobrikov, N. Samoylova, S. Sumnikov, O. Ivanshina, R. Vasin, A. Balagurov, R. Eremin, K. Kornieieva and P. Zolotarev

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Neutron diffraction studies of oxygen disorder in Nd₂NiO_4+d

S. R. Maity, L. Keller, J. Schefer, M. Ceretti and W. Paulus

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The aluminium-ion battery

T. Leisegang, T. Nestler, F. Meutzner, M. Zschornak, R. Schmid, W. Münchgesang, A. A. Kabanov, V. A. Blatov and D. C. Meyer

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Investigating CO₂ uptake in Sc₂BDC₃ using XRD, ab initio DFT and GCMC methods

J. Richardson, J. Sotelo, S. Moggach, J. McHardy, C. Morrison, T. Düren and P. Wright

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Experimental charge-density studies: improvements in data processing

R. Herbst-Irmer

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Nonisomorphism – diagnostics and metrics

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Combining a nine-crystal multianalyser stage with a Pilatus3 X CdTe detector for high-resolution X-ray powder diffraction at ESRF-ID22

C. Dejoie, M. Coduri, C. Giacobbe, D. Sisak-Jung and A. Fitch

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Synchrotron single-crystal diffraction for chemistry and materials: new developments

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Total scattering at the X04SA beamline of SLS

A. Cervellino and R. Frison

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Stay hydrated – where pharmaceutical hydrates come from and why

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Chemical insights from systematic studies of interactions

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Polarizing multipolar atoms: a new toolbox for benchmarking and more

T. Leduc, E. Aubert, C. Jelsch, C. Iordache, E. Espinosa and B. Guillot

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The role of the crystal field to determine hydrogen-atom positions in strong intramolecular hydrogen bonds

L. Andrade Malaspina, S. P. Thomas, K. Sugimoto and S. Grabowsky

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Quantum crystallography towards 'quantitative crystal engineering'

S. P. Thomas, P. R. Spackman, K. Alhameedi, D. Jayatilaka, B. B. Iversen and M. A. Spackman

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Benchmarking lithium amide versus amine bonding by charge density and energy decomposition analysis arguments

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Complementary bonding analyses based on quantum crystallography

S. Grabowsky, M. Fugel and M. V. Ponomarenko

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Multicentric two-electron covalent bonding (pancake bonding) between semiquinone radicals determines bulk properties

K. Molčanov, C. Jelsch, E. Wenger, Z. Mou, M. Kertesz, B. Landeros-Rivera, J. Hernandez-Trujillo, V. Stilinović and B. Kojić-Prodić

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Investigating short strong hydrogen bonds (SSHBs) with potential proton-migration behaviour using experimental charge-density analysis

L. Saunders, C. Frampton, H. Nowell and D. Allan

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Dynamic quantum crystallography

A. Ø. Madsen, A. Hoser and I. Sovago

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Characterising the strain in a twisted nanowire by scanning electron diffraction

A. Eggeman, D. Ugarte, M. Cotta, L. Tizei, C. Ducati and P. Midgley

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Electron tomography of radiation-sensitive 3D nano-crystals in imaging and diffraction mode

J. P. Abrahams, M. Clabbers, E. van Genderen and T. Blum

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Low-dose scanning electron diffraction and pharmaceutical nanostructure

D. Johnstone, C. S. Allen, M. Danaie, R. C. B. Copley, A. Lafontaine, J. Brum, A. I. Kirkland and P. A. Midgley

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Possibility of improved phasing method on Micro-ED

T. Shintake and C. Cassidy

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Automated diffraction tomography in TEM and STEM mode – getting the best of both worlds

U. Kolb, S. Plana-Ruiz, Y. Krysiak and H. Zhao

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Defects, disorder and electrochemistry in layered metal-ion battery cathodes

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Single-crystal diffuse scattering for analysing structures of dilute defects

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Investigation of planar defects in electrode materials using FAULTS

M. Reynaud, J. Serrano-Sevillano, A. Saracibar, T. Altantzis, S. Bals, G. van Tendeloo, J. Rikarte, J. Rodríguez-Carvajal and M. Casas-Cabanas

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Topotactic transformations during thermolysis of Mg–Ga(Al) LDHs: structure of disordered nanocrystalline phases

S. Cherepanova and N. Leonteva

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Unraveling 2D polymerization: a topochemical reaction studied via total scattering

G. Hofer, F. Grieder, M. Kroeger, A. D. Schlueter and T. Weber

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Zeolite SSZ-70: new understanding of a successful catalytic material

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Atomic scale 3D characterisation of hetero-nanosystems: a dose-efficient fusion of imaging and analytical techniques in scanning transmission electron microscopy

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Local structure and lithium diffusion pathways in nanostructured Li₄Mn₂O₅ rock-salt cathode probed

M. Diaz-Lopez, Y. Joly, C. V. Colin, V. Pralong and P. Bordet

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Structure solution of organic crystals by a global fit to the pair distribution function

M. U. Schmidt, D. Prill and C. Schlesinger

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Pharmaceutical polymorph characterization by high-resolution low-loss EELS spectroscopy and electron diffraction tomography

P. P. Das, A. Chuvilin, A. Gomez Perez, E. Mugnaioli, M. Gemmi, M. Pop and S. Nicolopoulos

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Phase transitions in organic–inorganic hybrids

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Aperiodic structures and luminescent properties in the scheelite family

V. Morozov, A. Abakumov, J. Hadermann, E. Khaikina, D. Deyneko, B. Lazoryak, I. Leonidov, D. Batuk and M. Batuk

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Transitions towards complex electronic states and superperiodic structures in P₄W₁₆O₅₆

E. Duverger-Nédellec, A. Pautrat and O. Pérez

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Protein crystal with ninefold structure modulation and 36 protein molecules in the asymmetric unit

J. Śmietańska, J. Śliwiak, M. Jaskólski, M. Gilski, Z. Dauter, R. Strzałka and J. Wolny

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Electronic properties of incommensurately modulated novel and complex materials

E. Martino, A. Arakcheeva, G. Autès, S. Katrych, O. V. Yazyev, P. J. W. Moll, A. Akrap and L. Forró

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Clusters in the Al₁₃TM₄ quasicrystalline approximants: role of the surface structures and properties

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Anisotropic quantum critical point in the Ce₃Al intermetallic compound

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Application of the generalized Penrose tiling to the structure refinement of AlCuRh decagonal quasicrystal

R. Strzałka, I. Bugański, M. Chodyń and J. Wolny

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Is PdBi the little brother of AuIn?

L. Folkers and S. Lidin

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Adventures in modulation: derivatives of Barluenga's reagent

A. L. Thompson, L. C. F. Morgan, Y. Kim, E. J. McKinley, J. N. Blandy, C. A. Murray and K. E. Christensen

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On the symmetry of incommensurate magnetic structures

J. M. Perez-Mato, L. Elcoro, G. Madariaga and M. I. Aroyo

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Complex magnetic structure of the swedenborgite CaBa(Co₃Fe)O₇ derived by unpolarized neutron diffraction and spherical neutron polarimetry

N. Qureshi, M. T. Fernández-Díaz, L. Chapon, A. Senyshyn, W. Schweika and M. Valldor

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New dedicated neutron scattering instrument for complex magnetic structures POLI

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Revisiting the magnetic structure of La_1/3Sr_2/3FeO₃ by neutron powder diffraction

F. Li, V. Pomjakushin, R. Sibille, R. Yadav, L. Keller, M. Medarde, K. Conder and E. Pomjakushina

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Magnetic structure determination of EuPtIn₄ through resonant X-ray magnetic scattering

P. J. Bereciartua, J. R. L. Mardegan, S. Francoual, P. Rosa, J. Rodríguez-Carvajal, L. S. I. Veiga, F.-E. Picca, M. Saleta and J. Strempfer

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Z-modules in crystallography: structures and defects

M. Quiquandon, A. Sirindil, R. Kobold, F. Mompiou, S. Lartigue-Korinek, L. Perriere, G. Patriarche and D. Gratias

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The theory of twisted X-rays and their diffraction patterns

D. Jüstel, G. Friesecke and R. James

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Bilbao Crystallographic Server – new databases and computer tools for the study of layer and multilayer materials

G. de la Flor Martin, D. Orobengoa, Y. E. Kitaev, R. Evarestov, L. Elcoro, G. Madariaga and M. I. Aroyo

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Symmetry breaking via hybrid improper mechanisms in molecular perovskites

H. Boström, M. Senn and A. Goodwin

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Crystallographic explorations into uniform distribution theory

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Chalcogen bonding in synthesis and design of arylhydrazone dyes

K. Mahmudov, A. Gurbanov and A. Pombeiro

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Halogen-bonding mediated reactions

M. E. Gonzalez Mosquera, P. Gomez-Sal, S. Dortez, C. Gaiteiro and M. Palenzuela

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Thiazoliums and selenazoliums as chalcogen-bond donors in crystals

P. Scilabra, K. F. Konidaris, G. Terraneo and G. Resnati

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Chalcogen and halogen bonding in case of multiple I⋯I and I⋯S interactions with ambiguous mutual orientations

I. Yushina, N. Tarasova and E. Bartashevich

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Halogen, chalcogen and pnictogen bonding: other bricks in the wall

P. A. Wood and A. G. P. Maloney

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Fingerprinting the solid-state assembly of cyclic peptoids: solvatomorphic behavior and sorption properties

C. Tedesco, G. Pierri, E. Macedi, F. De Riccardis and I. Izzo

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The role of supramolecular interactions in the formation of isostructural and polymorphic structures

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Cocrystallisation enhanced optical properties of organic materials – quantum crystallography meets crystal engineering

M. Gryl, T. Seidler, A. Krawczuk, K. Ostrowska and K. Stadnicka

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Influence of the hydrogen-bond donors and acceptors ratio on co-crystal formation features: the case of benzamide derivatives with dicarboxylic acids

A. Manin, K. Drozd, A. Churakov and G. Perlovich

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Large family of halogen-bonded cocrystals involving CoCl₂L₂ building blocks

D. Cinčić and K. Lisac

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The many lives of resorcinarene cavitands: from molecular recognition to crystal engineering

C. Massera, R. Pinalli, F. Guagnini, A. Pedrini and E. Dalcanale

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Close contacts involving carbon and antimony: tetrel-bonded and pnictogen-bonded systems by design

G. Resnati, P. Scilabra, V. Kumar and G. Terraneo

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Is it usual to be unusual? An investigation into molecular conformations in organic crystals

S. E. Wright, M. Bryant, R. J. Davey and A. J. Cruz-Cabeza

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Understanding selectivity in host–guest systems

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Finding polar crystal structures: molecular structures, intermolecular interactions and unit-cell dipoles

F. Blockhuys, J. Van de Velde and A. Collas

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Computational screening for organic drug hydrates

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Computation-led discovery of functional molecular materials

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Accurate and efficient representation of intramolecular energy in ab initio generation of crystal structures. Part II. Smoothed intramolecular potentials

I. Sugden, C. Adjiman and C. Pantelides

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Phase-diagram prediction by data mining via temperature-dependent force fields

D. Hofmann and L. Kuleshova

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X-ray diffraction data as a source of information of vibrational contribution to enthalpy and entropy of polymorphic systems

A. Hoser, P. M. Kofoed and A. Ø. Madsen

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From reactivity of solids to high-pressure crystallography and back: response of molecular crystals to mechanical stress

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Photomechanical and thermomechanical molecular crystals

T. Taniguchi and H. Koshima

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Watching chemistry happen – dynamic studies of light-induced transformations in linkage isomerism complexes

M. Warren, L. Hatcher, J. Skelton, P. Raithby and D. Allan

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Analysis of the dynamics of a jumping crystal with molecular dynamics and TLS analysis from powder diffraction data

J. van de Streek

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Is single-crystal diffraction a suitable technique to study jumping crystals in situ?

M. Zema, Z. Skoko, G. Ventruti, J. Popović and S. C. Tarantino

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Metal–organic frameworks as platforms for biosignalling molecules

E. Barea, F. J. Carmona, C. R. Maldonado, S. Ikemura, C. C. Romão, Z. Huang, X. Zou, S. Kitawaga and S. Furukawa

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Tuning properties and functionality in modulated crystallisation of high-valent metal–organic frameworks

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CO₂ adsorption sites in the triangular channels of Fe₂(BPEB)₃: an insight by in situ and operando high-resolution and high-energy PXRD

S. Galli, C. Giacobbe, E. Lavigna and A. Maspero

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Coordination polymers with supramolecules as nodes

E. Peresypkina, A. Virovets and M. Scheer

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A hierarchical metal–organic framework with breathing-dependent redox activity

G. Minguez Espallargas and M. Souto

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Unexpected structural properties of Ln^III complexes formed with the heptadentate AAZTA ligand

Z. Baranyai, S. Aime, A. Maiocchi, F. Uggeri, N. Masciocchi and G. B. Giovenzana

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Mixed-ligand Ni–Werner complexes: enhanced selectivity and hydrogen-bonding frameworks

M. Wicht, N. Bathori and L. Nassimbeni

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Silver(I) complexes as molecularly engineered lubricants

L. Marchio', I. Bassanetti, M. Delferro and T. Marks

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The structure of copper(II) hydroxypyridinecarboxylic acid derivatives in both solid and solution phases

N. May, G. T. Gál, V. B. di Marco and P. Bombicz

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Is a mechanochemical reaction always truly mechanochemical?

A. Michalchuk and E. Boldyreva

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New insights in mechanochemical processes using real-time in situ investigations

F. Emmerling, I. Akhmetova, H. Kul and S. Haferkamp

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Milling for better pharmaceuticals: green synthesis, phase transformations and reaction kinetics of vitamin B₃:C cocrystal polymorphs studied in situ

T. Stolar, S. Lukin, M. Tireli, M. di Michiel, I. Dejanović, I. Halasz and K. Užarević

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Crystal adaptronics: mechanically reconfigurable elastic and superelastic molecular crystals

P. Naumov, E. Ahmed and D. P. Karothu

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Mechanochemistry, a tool for improving drug physicochemical properties and delivery: salt formation and metal coordination

M. T. Duarte, I. C. B. Marins, S. Quaresma and V. André

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Commissioning experiments at FemtoMAX – an X-ray beamline for structural dynamics

J. Larsson, H. Enquist, A. Jurgilaitis, A. Jarnac, T. V. Pham, Å. Bengtsson, C. Ekström, X. Wang and D. Kroon

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Serial crystallography – exciting possibilities for time-resolved structural biology

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Short- and long-term structural effects of terahertz radiation on cryo-cooled bovine trypsin crystals

V. Ahlberg Gagnér, I. Lundholm, M.-J. Garcia Bonete, H. Rodilla, V. Zhaunerchyk, G. Bourenkov, T. Schneider, J. Starke and G. Katona

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Time-resolved crystallography via an interlacing approach allows elucidation of milliseconds to seconds time delays

P. Mehrabi, E. Schulz, H. M. Müller-Werkmeister, E. Persch, R. De Gasparo, F. Diederich, F. Tellkamp, E. Pai and R. J. D. Miller

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Ultrafast three-dimensional X-ray imaging of strain dynamics in pulse-heated nanocrystals

K. Sasikumar, M. Cherukara, T. Peterka, R. Harder and S. Sankaranarayanan

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Correlative cryo soft X-ray imaging of cells

E. Pereiro, A. J. Pérez-Berná, A. Sorrentino, P. Gastaminza, N. Varsano, L. Addadi, S. Kapishnikov and J. Als-Nielsen

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Complete structure analysis of single core–shell nanowires by X-ray methods

U. Pietsch, A. Al Hassan, A. Davtyan, H. Küpers and L. Geelhaar

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Novel usage of neutron scattering: holography for observations of local atomic structures of light elements

K. Ohoyama, Y. Fukumoto, S. Uechi, Y. Kanazawa, K. Hayashi, N. Happo, M. Harada, Y. Inamura and K. Oikawa

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Analysis of short-range phenomena in novel materials using the PDF method

P. Hans, R. B. Neder and K. Hradil

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The Argentinean Neutron Beams Laboratory project

G. Aurelio, J. Santisteban, K. Pierpauli, F. Cantargi, M. A. Vicente and A. Tartaglione

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Revisiting polymorphism of molecular crystals from the melt

A. Shtukenberg, Q. Zhu and B. Kahr

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The good, the bad and the ugly: small and macromolecular crystals in all their glory

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Novel screening method for the crystallization of salts of organic cations

M. Babor, P. Nievergelt, J. Čejka and B. Spingler

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Crystallophore, a unique nucleating and phasing agent for biocrystallography

E. Girard, S. Engilberge, T. Wagner, F. Riobé and O. Maury

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Current challenges of obtaining crystals for bio-crystallography

M. Spano, N. Junius, E. Vahdatahar, S. Jaho, C. Berzin, Y. Sallaz-Damaz, D. Cobessi and J.-L. Ferrer

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Developing new crystallographic software: how and what to do?

J. Rodriguez-Carvajal

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Experiences developing and publishing a medium-sized software project: CrystFEL

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Using Mathematica as a platform for crystallographic computing

S. Ramsnes, H. Bøvik Larsen and G. Thorkildsen

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Using DIALS with DUI

L. Fuentes-Montero and G. Evans

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Crystallographic Computing Schools – training future software developers

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Solving X-ray crystal structures with cryo-EM reconstructions

A. McCoy, R. Read, R. Oeffner and A. Thorn

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Cryo-EM and X-ray crystallography as complementary methods for structure determination

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Shift fields: a new approach to refinement using non-atomic parameterizations

K. Cowtan, J. Agirre and S. Metcalfe

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Building atomic models into electron microscopy maps with ARP/wARP version 8.0

G. Chojnowski, P. Heuser, J. Pereira and V. Lamzin

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Reference-based restoration of local contrast for cryo-EM density interpretation

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Distinguishing metal–organic frameworks

S. Barthel, E. V. Alexandrov, D. M. Proserpio and B. Smit

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Computational prediction of MOF structures from the entire periodic table: AuToGraFS + UFF4MOF

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Complex approach to analysis of crystal structures based on a unified topological model

E. Alexandrov, A. Golov and A. Shevchenko

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Assigning transition metal oxidation states to entries in the Cambridge Structural Database

M. Reeves, P. Wood and S. Parsons

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Automatic identification of solvatomorphic series in the CSD by CrystalCMP

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Functional hybrid materials: contribution of in situ powder X-ray diffraction

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New insight into nanoparticle nucleation mechanisms from X-ray total scattering

K. M. Jensen, A. S. Anker, M. Juelsholt, E. S. Kjaer and T. L. Christiansen

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The use of principal component analysis for fast and efficient kinetic analysis of combined in situ X-ray diffraction and spectroscopic data

M. Milanesio, R. Caliandro, L. Palin and E. Conterosito

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Kinetics of gas sorption by porous frameworks probed by sub-second synchrotron powder X-ray diffraction

I. Dovgaliuk, V. Diadkin, Y. Filinchuk and D. Chernyshov

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Combining experimental and computational techniques to understand phase transitions of nucleobase adenine

D. Sisak Jung, I. Halasz, D. McDonagh and G. M. Day

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The role of the Athena Swann initiative in supporting women researchers

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Gender, race and age diversity in crystallography: the impact of John Desmond Bernal and Dorothy Hodgkin on our science today

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Women in Science, the long road to gender parity

J. L. Jorda Moret

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Celebrating women in crystallography through the Cambridge Structural Database

S. Ward and M. Lightfoot

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Breaking bias

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Crystallography and materials science – some personal historical notes

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The role of CCP4 in macromolecular crystallography

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Notes on the development of crystallography in Germany with special respect to the use of neutrons

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Crystallography in Turkey

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Early contributions of crystallography to the atomic theory of matter

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Evolution of materials science. The crystal structure now central to drug product development

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Patenting polymorphs at the European Patent Office – an insider's view

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From chemistry to crystallography or the joy of being a crystallographer

S. García-Granda

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What a difference a career choice makes?

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Crystallographic software for the next generation

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Ask not what crystallography can do for you – ask what you can do for crystallography

C. Massera, M. Đaković, A. Guerri, C. Esterhuysen and S. C. Tarantino

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Diamond Light Source's biggest outreach project: 1000 samples, 100 schools, 1 great big experiment

C. Murray, J. Parker, L. Holland, Project M Team and UK Students and Teachers

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The IUCr OUP Book Series: overview and update

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FAST training programme at synchrotron facilities by IUPAP–IUCr LAAAMP project

M. Zema, S. K. Mtingwa and S. Scandolo

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Crystallographic education in Kazan

O. Lodochnikova

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Theory and methods in phasing of microcrystals of biological macromolecules

M. Cianci, M. Nanao, T. R. Schneider and A. Olczak

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Retinal isomerization in bacteriorhodopsin captured by a femtosecond X-ray laser

P. Nogly, T. Weinert, D. James, S. Carbajo, D. Ozerov, I. Schapiro, G. Schertler, R. Neutze and J. Standfuss

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Serial synchrotron crystallography at EMBL PETRA III beamline P14

J. Hakanpää, G. Bourenkov, I. Karpics, G. Pompidor, I. Bento and T. Schneider

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Design of BL06-XAIRA, the new microfocus beamline for MX at ALBA

D. Garriga, N. González, J. Marcos, J. Campmany, C. Colldelram, J. Nicolás and J. Juanhuix

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First steps towards routine serial crystallography at the VMXi beamline

J. Sanchez-Weatherby, J. Sandy, A. Butryn, P. Aller, H. Mikolajek, M. Charles, A. Orville and T. Sorensen

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Identification of contaminants with SIMBAD: a sequence-independent molecular replacement pipeline

A. Simpkin, F. Simkovic, J. Thomas, M. Savko, C. Ballard, M. Wojdyr, W. Shepard, D. Rigden and R. Keegan

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3D analysis of X-ray mesh scans and data collection strategies for macromolecular crystallography

A. Popov, I. Melnikov and G. Bourenkov

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VMXi – a new fully automated in situ and serial crystallography beamline at the Diamond Light Source

J. Sandy, H. Mikolajek, J. Sanchez-Weatherby and T. Sorensen

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Quantum refinement of X-ray and neutron protein crystal structures

O. Caldararu, L. Cao, F. Manzoni, E. Oksanen, D. Logan and U. Ryde

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Present status of SPring-8 macromolecular crystallography beamlines

H. Okumura, K. Hasegawa, S. Baba, N. Mizuno, H. Murakami, T. Kumasaka, K. Hirata, Go Ueno and M. Yamamoto

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ContaMiner and ContaBase: automated identification of unwantedly crystallized protein contaminants

S. Arold, A. Hungler, A. Momin and K. Diederichs

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Ensembling for molecular replacement: making the most of your distant homologues

R. Keegan, D. Rigden, S. McNicholas, E. Krissinel, J. Thomas, A. Simpkin, F. Simkovic, M. Winn and K. Wilson

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Vagabond: a new project for macromolecular model refinement

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Neutron protein crystallography at the Heinz Meier-Leibnitz Zentrum (MLZ): new developments and recent application examples

T. E. Schrader, A. Ostermann, M. Monkenbusch, B. Laatsch, P. Jüttner, W. Petry and D. Richter

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ISOLDE: bringing macromolecular model building to life

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How can data collection affect the success of solving crystal structures using single-wavelength anomalous dispersion?

M. J. Garcia Bonete and G. Katona

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New tools for serial crystallography: SPIND (sparse pattern auto-indexing) and DatView (exploring and optimizing large multi-crystal data sets)

N. Zatsepin, C. Li, N. Stander, X. Li, R. Kirian, H. Liu, P. Fromme and J. Spence

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Collecting best data for meaningful structures

A. Förster, C. Klein and C. Schulze-Briese

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BioSAXS at ESRF: the solution scattering beamline BM29

M. Brennich, P. Pernot and M. Tully

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Flexible fitting of macromolecular structures into small-angle scattering (SAXS and SANS) profiles

S. Grudinin, A. Hoffmann, A. Martel and S. Prévost

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Long-wavelength phasing at the P13 EMBL Macromolecular Crystallography beamline at PETRA III

G. Pompidor, G. Bourenkov, I. Bento, J. Hakanpää, I. Karpics and T. Schneider

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Simultaneous XRD and XES at XFELs, elucidating electronic and geometric structures of metalloproteins

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Effect of pressure on the crystal structure and adsorption of β-lactoglobulin

K. Kurpiewska, A. Biela, J. I. Loch, S. Świątek, B. Jachimska and K. Lewiński

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Unreduced enzyme intermediate structure caught by X-ray free-electron laser

P. Moody, H. Kwon, E. Raven, T. Tosha, H. Sugimoto and K. Yamashita

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Magnetic crystallization proof-of-concept: lysozyme and trypsin case study

R. dos Santos, I. Lychko, M. J. Romão, A. C. A. Roque and A. L. Carvalho

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Synthesis and characterization of cross-linked lysozyme crystals filled with single-walled carbon nanotube bionanomaterials

G. Escolano, R. Contreras-Montoya, J. J. Díaz-Mochón, L. A. de Cienfuegos and J. A. Gavira

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Crystallographic and calorimetric studies with nuclear transport of DNA repair proteins

M. R. de Mattos Fontes, A. de Barros, N. Bernardes, A. Takeda, T. Dreyer, M. C. Bertolini and B. Kobe

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Structural characterization and comparison of crystallization behaviour of selected haloalkane dehalogenases

I. Kuta Smatanova, T. Prudnikova, R. Chaloupkova, M. Kuty, A. Mazur, B. Kascakova, J. Damborsky and P. Rezacova

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Protein misfolding in chimeras of the SH3 domain of the c-Src and Fyn tyrosine kinase

M. Plaza, M. C. Salinas-Garcia and A. Camara-Artigas

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Crystal structures of chimeric SH3 domains forming 3D-domain swapping in presence of urea

M. C. Salinas-Garcia, M. Plaza-Garrido and A. Camara-Artigas

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Structural basis for transcriptional control of flagellum assembly by the FliD–FliT complex

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Liquid dense clusters: intermediates between nanocrystals and single particles

H. Brognaro, S. Falke, R. Schubert and C. Betzel

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Incorporation of an unnatural amino acid as IR sensor for conformation-specific detection of calmodulin binding

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The Durham Screens: fast protein buffer optimisation through differential scanning fluorimetry

D. Bruce and E. Pohl

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Size-exclusion chromatography as a lab-based indicator for protein self-assembly prior to nucleation

A. Alaa and M. Groves

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Site-specific analysis of UL144 protein from human cytomegalovirus highlights its role in virus-mediated immune evasion

I. Nemčovičová, M. Benko and M. Nemčovič

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Structure-based cofactor binding properties of dihydrodipicolinate reductase (PaDHDPR) from Panisporosarcina sp. TG-14

C. W. Lee, J. H. Lee and S.-H. Park

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Crystal structure and vibrational study of diphenylhydrazine dihydrogenophosphate monocrystal DPHDP (C₆H₉N₂)₂H₂P_2&l

S. Zerraf, M. Belhabra, A. Kheireddine, M. Tridane and S. Belaaouad

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Chemical preparation, crystal data and vibration spectroscopic study of single-crystal L-arginine phosphate monohydrate

H. Marouani, S. Zerraf, M. Belhabra, A. Kheireddine, M. Tridane and S. Belaaouad

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The crystal structure of the R280K mutant of human p53 explains the loss of DNA binding

A. L. Carvalho, A. S. Gomes, F. Trovão, B. Pinheiro, S. Gomes, C. Oliveira, L. Domingues, M. J. Romão and L. Saraiva

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Co-crystal forms of the BCS class IV drug sulfamethoxazole

M. Alsubaie, M. Aljohani, A. Erxleben and P. McArdle

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Co-crystals of fenamic acids with ethacridine

M. Krawczyk, S. Głód, I. Majerz and M. K. Krawczyk

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Stability of API. Lactamization of γ-amino acids in crystal state

M. Glowka and W. Maniukiewicz

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Fragment screening on protein kinase A and PIM1-kinase

A. Heine, C. Siefker and G. Klebe

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Mechanistic study of human phosphoserine phosphatase (hPSP) via crystallization with intermediates

M. Haufroid, M. Mirgaux and J. Wouters

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Structural investigation of the interaction between Combretastatin A-4 analogues with benzoxazolone scaffold and αβ-tubulin

R. Rusev, M. Gerova, G. Atanasov, D. Stanisheva, H. Sbirkova-Dimitrova, M. Apostolova, O. Petrov and B. Shivachev

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Towards understanding phase transitions of confined pharmaceuticals

A. Morritt, K. Nartowski, L. Fábián and Y. Khimyak

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Novel fluorescent probes for retinoic acid binding proteins

C. Tomlinson, E. Pohl, D. Chisholm and A. Whiting

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Structure-assisted design of carborane inhibitors of human carbonic anhydrase IX

P. Rezacova, M. Kugler, J. Brynda, B. Gruner, M. Hajduch, J. Nekvinda, K. Pospisilova, V. Das and J. Holub

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VHHs as tools in antibody-assisted structure-based drug discovery

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Galectin-3: studying role of fluorine interaction to achieve high affinity and selectivity

R. Kumar, K. Peterson, U. Nilsson and D. Logan

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Crystal structure of new [3]rotaxane

D. Trzybiński, M. Woźny, S. Domagała and K. Woźniak

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Structural basis of ASPL-mediated regulation of p97 methylation by METTL21D

S. Petrovic, Y. Roske and U. Heinemann

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Structure–functional studies of protein P4 from bacteriophage φ8

B. Kaščáková, Z. Franta, T. Prudniková, M. Kutý, R. Tuma and I. Kutá Smatanová

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Purification and crystallization of novel archaean protein of the Lsm family

M. Fando, N. Lekontseva and A. Nikulin

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Comparison of the uridine-binding site of hexameric and heptameric archaeal Lsm proteins.

N. Lekontceva, A. Mikhailina, S. Tishchenko and A. Nikulin

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The influence of nucleotide sequence of RNA 5′ end on the electrostatic interaction energy of IFIT5 proteins with RNA

U. Budniak and P. Dominiak

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HpDprA domains involved in interaction with DNA

L. Celma, P. Cuniasse, D. Durand, J. Lisboa, D. Sanchez, S. Marsin, S. Quevillon-Cheruel and P. Radicella

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Insights into the chromosome partitioning system, ParABS

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Nanocrystallization of the nucleoid of bacteria under stress

Y. Krupyanskii, N. Loyko, K. Tereshkina, V. Kovalenko, E. Tereshkin, O. Sokolova and A. Popov

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Understanding native state of Cpf1 protein from Francisella novicida by small-angle X-ray scattering

K. Min, Y. Choi and H. Ho Lee

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Structural characterisation of diruthenium paddlewheel compounds with cytosinate and adeninate ligands

J. Perles, A. Valentín-Pérez, S. Herrero and R. Jiménez-Aparicio

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Structural insights into the dimeric human PNPase revealing why the disease-linked mutants exhibit lower RNA import and degradation activities

B. Golzarroshan and H. Yuan

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Structure of an essential inner membrane protein–LPS complex

T. Clairfeuille, K. Buchholz, J. Payandeh and S. Rutherford

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Structural insight into protein-aided bacterial biofilm formation

Y. Roske, A. Diehl, L. Ball, K. Turgay, U. Heinemann, U. Akbey and H. Oschkinat

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X-ray solution scattering and crystallization experiments towards time-resolved structural studies of the membrane protein transporter, Mhp1

D. Melo, M. Kokkinidou, Y.-Y. Gao, D. Sharples, P. J. F. Henderson and A. R. Pearson

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Insights into the structural background and mechanism of inhibition of dUTPases by a proteinaceous inhibitor

A. Benedek, F. Temesvary-Kis, T. Khatanbaatar, I. Leveles and B. G. Vertessy

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On the versatility of CLECs for biotechnological applications, from micro to macro-fluidics devices

J. A. Gavira, C. Verdugo-Escamilla, S. Martínez-Rodríguez, I. Rodríguez-Ruiz and M. Conejero-Muriel

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A bioconjugate of lipase with polypyrrole–methyl anthranilate functionalized 'worm-like' titanium dioxide nanocomposite as promising nanobiocatalyst

M. S. Asmat and Q. Husain

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Crystal structure of inositol 1,3,4,5,6-pentakisphosphate 2-kinase from Cryptococcus neoformans

S. Rhee, J. Oh, D.-G. Lee and Y.-S. Bahn

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Crystal structures of Serratia marcescens reveal a homotetramer and insight into a flexible catalytic cleft

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Crystal structure of PigA, a proline-oxidizing enzyme in prodigiosin biosynthesis

C.-C. Lee, T.-P. Ko, C.-D. Hsiao and A.H.-J. Wang

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Crystal structures of Bowman–Birk inhibitor in complex with α-chymotrypsin

E. Johansson and C. W. Tornøe

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pH-dependent conformational changes of β-amylase/glucose complex crystal measured at room temperature

B. Mikami, X. Hou, K. Mori, A. Motoyasu, K. Mizutani and N. Takahashi

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Structure analysis of haloalkane dehalogenase DbeA ΔCl variant from Bradyrhizobium elkanii USDA94

T. Prudnikova, P. Rezacova, R. Chaloupkova, J. Damborsky and I. Kuta Smatanova

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A novel direct link between Ca²⁺ signalling and energy homeostasis? Structural background of brain and muscle creatine kinase modulation by calmodulin

J. Sprenger, J. Bredtfelt, A.-V. Isaak, N. Patel, A. Vanderbeck, L. Lo Leggio, K. Åkerfeldt and S. Snogerup Linse

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Structural aspects of specie specific moonlighting functions of dUTPases

I. Leveles, B. G. Vértessy, J. Tóth, K. Nyíri, A. Bendes and A. Lopata

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Structural insights into an evolutionary intermediate of dUTPase

B. Vertessy, A. Benedek and I. Leveles

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Bacterial metal-dependent DNase with novel fold

J. Dohnalek, J. Stránský, V. Andrle, M. Trundová, T. Koval and L. Østergaard

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Allosteric coupling between autophosphorylation and phosphoryl-group transfer in a prototypical two-component signal transduction system

A. Mechaly, P. Alzari, J.-M. Betton, A. Buschiazzo, A. Haouz, N. Sassoon and S. Soto-Diaz

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Helicobacter pylori urease structures by cryoEM and X-ray crystallography

E. Cunha, X. Chen and H. Luecke

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Frequency and hydrogen-bonding geometry of nucleobase homodimers in small molecule crystals

M. Cabaj and P. Dominiak

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Analysis of the hydrogen bonds in the crystal structures of the pyrrole-2-yl-dichloromethyl ketone derivatives

M. Domagała, A. T. Dubis and M. Palusiak

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Rotational dynamics of methyl ammonium ions and hydrogen-bonding in orthorhombic CH₃NH₃PbI_2.94Cl_0.06 by means of neutron scattering and IR investigations

G. Schuck, M. Koch-Müller, I. Efthimiopoulos, F. Lehmann and S. Schorr

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Co-crystal or salt? A cautionary tale when inferring proton disorder solely from X-ray and computational data

G. Sackman, A. Edwards and R. Cooper

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Interaction studies in the crystal structures of thiosemicarbazones and their thiazol derivatives

D. A. Osman, M. S. M. Abdelbaky, R. Mendoza-Meroño and S. García-Granda

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Structural studies of cycloheptylamine and alcohol co-crystals

B. Nowosielska, L. Dobrzycki, G. Cichowicz, R. Boese and M. Cyrański

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A novel salt of antidiabetic drug metformin resulting from a proton-transfer reaction: synthesis, characterization, crystal structure and solution studies

R. Mendoza-Meroño, F. Ghasemi, K. Ghasemi, A. R. Rezvani, A. Shokrollahi, M. Refahi and S. García-Granda

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Neanderthal adenylosuccinate lyase: insights in catalysis and link with disease-causing mutation

B. Van Laer, U. Kapp, M. Soler-Lopez, K. Moczulska, S. Pääbo, G. Leonard and C. Mueller-Dieckmann

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The stucture of human ASCT2 neutral amino acid transporter

A. Guskov, A. Garaeva, G. Oostergetel, C. Gati, C. Paulino and D. Slotboom

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Structure and function of proteins involved in targeting of tail-anchored membrane proteins to the membrane of ER or chloroplast

C.-D. Hsiao, T.-W. Lin and H.-Y. Chang

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The crystal structure of the CARD–CARD disc of the human apoptosome and its structural insights into the assembly of the death-domain fold

S.-C. Lin, Y.-C. Lo and T.-W. Su

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Structure of human natural killer cell receptor NKR-P1 in complex with its ligand LLT1

T. Skalova, J. Bláha, J. Stránský, T. Koval, J. Dušková, Y. Zhao, K. Harlos, O. Vaněk and J. Dohnálek

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Structural characterization and functional studies of putative human glutathione-specific γ-glutamylcyclotransferase 2 (ChaC2 enzyme)

N. T. Kim Yen and B. W. Han

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Crystal structure of a mammalian pseudokinase reveals an original dimerization

G. Labesse, C. Lecointre, V. Simon, C. Kerneur, F. Allemand, I. Montarras, M. Gelin, S. Urbach and S. Roche

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Structure and function of DJ-1 superfamily proteins from Staphylococcus aureus

A.-R. Kwon and H. J. Kim

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DPP8 and DPP9 structure, mechanism and interaction with SUMO1

B. Ross, S. Krapp, R. Geiss-Friedlander and R. Huber

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Revealing the properties of small local folds with ALEPH: from structure annotation to ab initio phasing

A. del Rocío Medina Bernal, M. D. Sammito, C. L. Millán, R. J. Borges and I. Usón

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Overcoming phasing difficulties in coiled coils with ARCIMBOLDO_LITE: verifying solutions

I. Caballero Muñoz, M. Sammito, C. Millán, N. Soler, A. Lebedev and I. Usón

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HAR-ELMO: a new quantum mechanics-based method to refine crystallographic structures of proteins

A. Genoni, L. A. Malaspina, B. Meyer and S. Grabowsky

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Identifying amyloid and partially amyloid structures from the Protein Data Bank

V. Grolmusz, K. Takács and B. Varga

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Coordination of structural bioinformatics activities across Europe

B. Schneider, C. Orengo, T. Schwede, J. L. Sussman, J. M. Thornton, S. Velankar and S. Wodak

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Bringing together functional annotations related to structure

L. Pravda and S. Velankar

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Conservation and variability in hydrogen bonding in proteins

M. Merski, J. Skrzeczkowski and M. W. Górna

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Crystal chemical features in the row of phosphates and vanadates with alkaline and transition metals

G. Kiriukhina and O. Yakubovich

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New borates with similar structures and different properties – acentric nonlinear optical KGd[B₆O₁₀(OH)₂] and centrosymmetric KHo[B₆O₁₀(OH)₂]

A. Topnikova, E. Belokoneva, O. Dimitrova, A. Volkov and S. Stefanovich

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Structural investigation of the phase transition in the 18-carat gold alloy starting from the disordered state

I. Lamiri, M. S. M. Abdelbaky, S. García Granda and D. Hamana

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New insights into eugsterite's structure from SC-ED and PXRD data

C. Verdugo-Escamilla, S. Smeets, J. Criado-Reyes, M. O. Cichocka, D. Choquesillo-Lazarte, F. Otálora and J. M. García-Ruíz

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Spatial displacement of forward-diffracted X-ray beams by perfect crystals. Cases: Laue and Bragg geometry

A. Rodriguez Fernandez, V. Esposito, K. D. Finkelstein, U. Staub, S. Reiche, D. Grolimund, D. F. Sanchez, P. Juranic and B. Pedrini

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Measurement of relaxation-free stress profiles in aluminium by multi-reflection grazing-incidence X-ray diffraction with different wavelengths

V. Righetti, T. Campos, L. Robatto and G. Thim

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Intergrowth of new phosphorus nitride oxide high-pressure phases elucidated using synchrotron radiation

O. Oeckler, D. Günther, D. Baumann, P. Urban, P. Schultz, L. Neudert and W. Schnick

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Crystallographic characteristics of the siliceous lithic material from the deposit and the outcrops to explore the supply sources of Mesolithic groups from the Los Canes cave

M. de Uribe-Zorita and C. Marcos

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Theoretical polytypism and practical twinning of aragonite crystals

P. Gavryushkin, A. Rečnik and N. Daneu

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Solid-state synthesis and structural characterization of novel geo-inspired sulfate, Na₂CuM₂(SO₄)₄ (M = Mg, Zn)

O. Siidra, D. Nekrasova, Z. Chen, V. Kovrugin, O. Mentre and M. Colmont

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In situ temperature X-ray diffraction and mechanical study of the binary yellow 18-carat gold alloy AuCu

M. Said M. Abdelbaky, I. Lamiri, D. Martínez Blanco, D. Hamana and S. García Granda

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High-accuracy measurement of cell dimensions of the vanadium α- and β-phases in V–O system

B. Kodess, I. Kommel, V. Volodin, A. Alpatov and S. Muradyan

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High-accuracy measurement of cell dimensions of niobium α-phase in niobium–oxygen system

M. Reylyanu, B. Kodess, I. Kommel and A. Alpatov

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Structural studies of crystalline phases occurring when temperature cycling a stabilised system of sodium sulfate decahydrate

E. Goddard, D. Oliver and C. Pulham

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Structural characteristics of vermiculites treated with alcohol

Z. del Rio Rivadulla and C. M. Pascual

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Piezoelectric phase transition in KSrVO₄ investigated using the Aeris diffractometer

J. Gertenbach and G. Nénert

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Structure elucidation of a zeolite with multi-dimensional disorder by combining HRTEM and XRPD analyses

M. O. Cichocka, Y. Lorgouilloux, S. Smeets, P. Caullet, N. Bats, L. B. McCusker, J.-L. Paillaud and X. Zou

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NMR crystallography of beryl minerals at 9.4 T and 19.6 T

L. Sánchez Muñoz, I. Sobrados, J. Sanz, V. Diez, J. I. Santos, J. García-Guinea, F. Pezzotta, S. Brito Barreto and Z. Gan

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Application of the full-symmetry Patterson sum function to the solution of complex cluster-based minerals from powder diffraction data

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Atomic displacements in yttrium manganese oxide with and without Fe substitution, revealed by resonant X-ray diffraction

M. Nentwich, C. Richter, T. Weigel, M. Zschornak and D. Meyer

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Evidence of screw dislocation on gypsum crystals as principal mechanism of growth at low supersaturation

J. Criado Reyes, L. Pastero, M. Bruno, D. Aquilano, F. Otálora Muñoz and J. M. García Ruiz

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Synthesis and crystallographic study of laflammeite (Pd₃Pb₂S₂) and thalhammerite (Pd₉Ag₂Bi₂S₄)

F. Laufek, A. Vymazalová, S. F. Sluzhenikin, V. V. Kozlov and J. Plášil

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Carbon molecules in space: a thermal equation-of-state study of solid hexamethylentetramine

G. Novelli, H. Maynard-Casely, K. Kamenev, W. G. Marshall, G. McIntyre and S. Parsons

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Evolution of uranyl-bearing structural complexes

V. Gurzhiy and S. Krivovichev

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Structural diversity of terrestrial phosphides related to Fe–Ni–P system

M. Krzhizhanovskaya, S. Britvin, M. Murashko, Y. Vapnik and A. Zolotarev

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Biomineral indicators of hydrological, geological and climatic processes in the Arctic

L. Reykhard, N. Shulga, Y. Novichkova, N. Kozina, O. Dara, P. Sapozhnikov, V. Gordeev, N. Belyaev and A. Boev

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Investigating the primitive Earth through crystals

F. Otalora and J. M. García Ruiz

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Crystal growth of lead-bearing phases under acidic conditions

A. Roza Llera, A. Jiménez and E. Benito

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Synthesis and structure determination of β-K_0.399V_2.623W_0.377O_7.5 with mixed occupation of vanadium and tungsten elements

D. Mezaoui, S. Belkhiri and O. Perez

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Tunable crystal structure and proton conductivity of lanthanide nitrilotrismethylphosphonates

I. Ruiz Salcedo, A. Cabeza Díaz, M. Bazaga García, R. M. Pérez Colodrero, G. Hix, E. Ramírez Losilla and P. Olivera Pastor

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Perovskite-type hybrid materials with lead halide complexes and piperidine methyl derivatives: design, synthesis and structural analysis

P. Socha, L. Dobrzycki and M. K. Cyranski

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Pre-transitional processes in lead zirconate doped by Ti studied by diffuse and inelastic X-ray scattering

D. Andronikova, R. Burkovsky, Y. Bronwald, A. Bosak, D. Chernyshov, I. Leontiev, N. Leontiev, A. Filimonov and S. Vakhrushev

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Interplay of cation disorder and thermoelastic properties of MgGa₂O₄

C. Hirschle, J. Schreuer and Z. Galazka

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Structural studies of HS–LS transition triggered by temperature or laser light irradiation in the [Fe(ebtz)₂(RCN)₂](BF₄)₂ complexes

J. Kusz, M. Kaźmierczak, M. Książek, M. Siczek, R. Bronisz, A. Tołoczko and M. Weselski

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Determination of L2₁ versus B2 phase content in Heusler alloys Ni₂MnGa and Co₂FeGe_0.5Ga_0.5 with X-ray diffraction

P. Cejpek, D. Král, E. Duverger-Nédellec, L. Horák and V. Holý

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Thickness distribution of triglyceride crystallites in vegetable fat blends

R. den Adel, K. van Malssen, J. van Duynhoven, O. O. Mykhaylyk and A. Voda

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Titanyl sulfate dihydrate – template for preparation of 1D titania structures

M. Klementova, M. Motlochova, J. Kupcik, L. Palatinus, E. Plizingrova, L. Szatmary and J. Subrt

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Determination of the crystal structures of an oxidized TbDy₂Fe₆ thin film by synchrotron radiation anomalous X-ray scattering

C.-H. Lee and W.-C. Chang

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Structure–property relations and structural instabilities in high-temperature piezoelectric rare-earth calcium oxoborates RCa₄O(BO₃)₃

M. Münchhalfen, J. Schreuer, C. Reuther, J. Götze, E. Mehner and H. Stöcker

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Dielectric, pyroelectric and structural properties of rare-earth calcium oxoborates RCa₄O(BO₃)₃

E. Mehner, H. Stöcker, M. Münchhalfen, C. Reuther, J. Götze, J. Schreuer and D. C. Meyer

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Insertion/disinsertion of oxygen in BaCoO_2+x (0 ≤ x ≤ 1)

A. Diatta, P. Armand and J. Rouquette

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A bi-porous metal–organic framework with tuneable sorption performance facilitated by intrinsic flexibility

A. Gładysiak, K. S. Deeg, I. Dovgaliuk, K. Y. Ordiz, S. Moosavi, D. Ongari, J. A. R. Navarro, B. Smit and K. C. Stylianou

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Assessment of pyroelectricity in polar oxides from atomic displacements

T. Weigel, M. Zschornak, C. Funke, S. Jachalke, C. Richter, M. Nentwich, H. Stöcker, T. Leisegang and D. C. Meyer

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Crystal structure of AlCr₂

M. Milosavljevic, Y. Grin and H. Borrmann

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Pure gyrotropic phase transitions in the arcanite-related materials PbMGeO₄ (M = Ba, Sr)

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Structural studies of titanium and zirconium silicate ion-exchange materials for the treatment of nuclear waste

J. Readman, N. Sajjad, R. Hall and P. Patterson

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Influence of microstructure on symmetry determination of piezoceramics

M. Hinterstein, H. E. Mgbemere, M. Hoelzel, E. Adabifiroozjaei, C. Sorrell and M. Hoffman

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Crystallization of carbonate minerals in organic matrices: influence of hydrogel strength and magnesium doping on hydrogel–mineral organization in the mesocrystal composites

E. Griesshaber, L. Fernandez Diaz, F. Nindiyasari, X. Yin, M. Greiner, A. Ziegler and W. W. Schmahl

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Synthesis and properties of puninite-type A₂Cu₃O(SO₄)₃ (A = Na, K, Rb, Cs) sulfate materials

D. Nekrasova, Z. Chen, V. Kovrugin, O. Mentré, M. Colmont and O. Siidra

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How heating and surface finishing affect the crystalline and mechanical properties of CAD–CAM dental lithium disilicate glass ceramic

J. García-Mira, G. P. Furini, P. Benetti, P. Álvarez-Lloret and O. E. Pecho

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1:3 A-site ordering in perovskite structures: group theoretical analysis

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Crystallographic studies of NaZr₂(PO₄)₃ phosphates at high temperatures

A. Orlova, S. Khainakov, A. Alexandrov, S. Garcia-Granda and D. Savinykh

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Effect of crystallography on the calculation energies of equilibrium and enthalpies of formations at first-principles calculations (DFT)

F. Abdelhak, Y. Djaballah and Dj. Belbacha

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Revised Jiang model's 'New formula of prediction of lattice constant in cubic perovskites'

K. Hadda and F. Hamizi

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Removal of methylene blue by adsorption using modified hydroxyapatite by carrageenan biopolymer

M. Debbabi, H. Agougui, M. Jablib and H. Majdoub

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Small-angle X-ray scattering studies on the self-assembly of disc-shaped bicelles with DNA

T.-L. Lin, Y. Hu, R.-K. Lin, C.-H. Yang, P.-W. Yang and U-S. Jeng

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Multi-scale characterization of bone mineral composition and structural organization

P. Alvarez, N. Domínguez-Gasca, C. Benavides, E. Sánchez-Rodríguez and A. Rodríguez-Navarro

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Structural evolution of hydrated calcium oxalates

A. Izatulina, V. Gurzhiy, M. Krzhizhanovskaya, M. Kuz'mina, M. Leoni and O. Frank-Kamenetskaya

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Salivary stones crystallization. Previous study

V. López-Acevedo, A. Sánchez-Barrueco, S. López-Andrés, J. M. Villacampa-Aubá, J. Santillán-Coello, F. González-Galán, G. Díaz-Tapia and C. Cenjor-Español

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Biomineralisation of marine carbonates – ion by ion growth versus particle accretion

W. W. Schmahl, E. Griesshaber, X. Yin, M. Greiner, A. Ziegler, P. Walther, L. Fernández Díaz, M. del Mar Simonet Roda and K. Kelm

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High-pressure single-crystal X-ray diffraction study of a model Rh complex exhibiting metallophilic interactions in the solid state

R. Kamiński, K. N. Jarzembska, D. Paliwoda, V. Petříček, C. Pretorius and A. Roodt

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Structural changes induced by high pressure and radiation in crystals of three cinnamic acid derivatives

T. Galica, J. Bąkowicz, K. Konieczny and I. Turowska-Tyrk

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Structural behaviour of copper(I) iodine compounds under high pressure

J. Gonzalez-Platas, A. Aguirrechu-Comeron, U. R. Rodriguez-Mendoza, V. Lavin and S. Perruchas

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High-pressure neutron measurements of the highly-polymorphic 'ROY'

N. Funnell, C. Bull, C. Ridley and S. Capelli

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A crystallographic study of L-threonine to extremely high pressures

N. Giordano, S. Parsons, C. Beavers and S. Teat

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1-Dimensional sp³-carbon nanostructures synthesized through nanocasting at high pressure

D. Paliwoda, M. Baldini, V. S. Bhadram, S. Najiba, T. A. Strobel and K. Landskron

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Integrated solutions for most efficient in-house high-pressure single-crystal experiments

M. Adam, P. Dera and M. Ruf

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1-Hydroxypyrene under pressure – crystal morphology affected by hydrogen bond

R. Gajda, M. Malińska and A. Makal

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High-pressure pair distribution function study of amorphous silica in helium

J. Rouquette, J. Haines, D. Bowron, D. Keen, M. Kint and C. Weigel

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Crystal structure and spectroscopic properties of 1-(pyren-1-yl)but-2-yn-1-one under pressure

A. Makal and J. Krzeszczakowska

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Studying weak interactions in crystals at high pressures: when hardware matters

M. Mueller, B. A. Zakharov, Z. Gal, D. Cruickshank and E. V. Boldyreva

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Role of size and electronegativity of the transition metal ion on the high-pressure behaviour of dimethyl ammonium metal formates

A. Chitnis, M. Maczka, H. Bhatt, M. Deo and N. Garg

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Metal hydro-borates for Li- and Na-ion batteries

R. Černý, E. Didelot, Y. Sadikin, M. Brighi and F. Murgia

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Solvent-free synthesis of heterometallic metal–organic frameworks for the electrocatalytic reduction of carbon dioxide

M. Perfecto Irigaray, J. Albo, G. Beobide, O. Castillo, A. Irabien and S. Pérez-Yáñez

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Two polymorphs of a fibrous titanium oxophosphate as repository for active metal cations

S. Garcia-Granda

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Structural, dielectric and photoelectrochemical properties of new lead-free ceramics of composition Ba_0.925Bi_0.05(Ti_0.95−xZr_x)Sn_0.05O₃

K. Taïbi, N. Taïbi-Haddadou, A. Lahmar, G. Rekhila and M. Trari

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Local structure of the supported Keggin and Wells–Dawson heteropolyacids and its consequence on their (photo)catalytic activity

G. Marci, E. García-López, L. Palmisano, I. Krivtsov and A. Serrano

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Metalloporphyrinic solid frameworks: catalytic activity

M. K. Urtiaga, A. Fidalgo, E. Amayuelas, B. Bazán, G. Barandika and M. I. Arriortua

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Environmental-friendly materials by alkali activation

S. C. Tarantino, R. Occhipinti, G. Ventruti and M. Zema

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Influence of the glass–ceramic synthesis route on the ionic conductivity of the sodium solid electrolyte Na₂O–Y₂O₃–SiO₂ (NYS)

W. Münchgesang, D. Wagner, M. Motylenko, J. Schilm, D. Rafaja and D. C. Meyer

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New insight in the CO₂ photo-activation mechanism in artificial photosynthesis

V. A. de la Peña O'Shea, F. Fresno, I. Villar, M. Barawi, P. Reñones, E. Alfonso, A. García-Sánchez, M. Liras and R. Pérez

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X-ray study of GZO thin films

B. G. Sbarcea, P. Prepelita and L. N. Leonat

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Ce_0.8Gd_0.2O_2−δ/La_0.6Sr_0.4CoO₃ heterostructures prepared by pulsed laser deposition

L. dos Santos Gómez, J. M. Porras Vázquez, E. Ramírez Losilla and D. Marrero López

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Structurefinder

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Low-cost portable devices for inert low-temperature sample manipulation

N. Trapp, M. Solar and M. Wörle

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Scope and limitations on refinement strategy. A service crystallographer's publishing woes

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Shine bright like a diamond: microfocus X-ray sealed-tube sources with diamond hybrid-anode technology

J. Graf, T. Stuerzer, H. Ott, P. Radcliffe and C. Michaelsen

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Integrated crystallographic services at EMBL-Hamburg

S. Panneerselvam, G. Bourenkov, G. Pompidor, I. Bento, J. Hakanpää, D. Von Stetten, M. Garcia Alai and T. R. Schneider

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Misplaced hydrogen atoms and undetected disorder in imidazoles and pyrazoles

C. Schwalbe, P. Wood, A. Maloney and S. Ward

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The benefits of Kβ radiation

M. Bodensteiner and T. Mayr

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EuPRAXIA – a compact, cost-efficient XFEL source

M. Weikum, P. A. Walker and R. Assmann

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Results and experience using recycled beam at the CXI instrument of LCLS

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Interaction of non-ideal, multicomponent solid solutions with water: a simple algorithm to estimate final equilibrium states

R. M. Rodríguez Galán and M. Prieto

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The HyPix-6000HE detector – no photon left behind

F. White, D. Cruickshank, A. Stanley, D. Kucharczyk and M. Meyer

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A photon-counting large-area detector – PHOTON III

M. Mrosek, M. Adam, B. Becker, R. Durst and J. Kaercher

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Highest data quality with latest in-house sources and detector technology

H. Ott, T. Stuerzer, M. Mrosek, M. Ruf, B. C. Noll, M. Benning, M. Adam and J. Graf

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Crystal structure and reconstruction of charge density of 9-aminoacridine hemihydrate

S. Pawlędzio, A. Makal, D. Trzybiński and K. Woźniak

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Preparation of non-covalent organic frameworks using dodecasubstituted porphyrins

K. Flanagan and M. O. Senge

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Intermolecular interactions in the cyanuric acid dihydrate on the basis of experimental charge density

B. Gruza, P. Dominiak and D. Trzybiński

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Hierarchy and the nature of intermolecular interactions in systems containing aromatic N-heterocyclic rings

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Understanding disorder in a Z′ = 4 structure with computationally cheap tools

C. Vande Velde, W. Van Beek and K. Abbaspour Tehrani

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New models of electron density for electrostatic interaction energy estimation

S. Bojarowski, P. M. Dominiak, P. Kumar, C. M. Wandtke and B. Dittrich

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'Pancake' bonding: a charge-density perspective

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Crystal and electronic structure of ruthenium(II) complex

J. Koziskova and J. Kožíšek

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HAR and TAAM refinements of model crystal structures using Cu Kα and Mo Kα X-ray diffraction data

M. Wanat, M. Malinska and K. Wozniak

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Experimental charge density for σ-hole interactions

U. Englert, R. Wang, D. Hartnick, S. Potts and I. Kalf

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Property studies for the heterobimetallic phosphido-bridged W and Mo complexes through charge-density analysis

S.-G. Shyu, C.-R. Lee, W.-T. Chen and I-J. Hsu

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Influence of chosen synthons on the polarizabilities of functional groups

A. Krawczuk and M. Kaczmarczyk

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Deciphering the driving forces in crystal packings by analysis of electrostatic energies and contact enrichment ratios

C. Jelsch and Y. B. M. Bisseyou

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Molecular thermal smeared electrostatic potential

C. Hubschle and S. van Smaalen

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Crystal and electronic structure of 3-(2′-tetrahydropyranyloxy)-4-methylthiazole-2(3H)-thione

J. Kozisek, J. Koziskova, L. Bučinský, P. Herich, J. Hartung and M. Müller

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Continuous-rotation electron diffraction: an approach for better understanding of beam-sensitive materials

Z. Huang and X. Zou

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Towards automated data collection for continuous-rotation electron diffraction: current status and development

B. Wang, S. Smeets, H. Xu and X. Zou

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Structure determination by ultra-fast electron diffraction of the new zeolite ITQ-62

J. L. Jorda Moret, P. J. Bereciartua, L. Bieseki, R. Simancas, J. Simancas, F. Rey, A. Corma, S. Valencia and S. B. Pergher

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TEM-based analysis of the crystal structure of a Ge-rich layer sandwiched between spintronic Fe₃Si

H. Kirmse, B. Jenichen, E. Willinger, X. Huang, B. Haas and C. T. Koch

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Possibility of improved phasing method for MicroED – experimental aspects

C. Cassidy and T. Shintake

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Low-dose electron diffraction tomography

H. Klein and S. Kodjikian

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Applications of the highly efficient low-dose electron diffraction tomography

S. Kodjikian and H. Klein

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First preliminary results from TAAM–UBDB refinement on electron diffraction data

P. Dominiak, M. Chodkiewicz and J. Krzeszczakowska

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Riding the camel: the double-peaked rocking curve and its use in the processing of precession electron diffraction data

L. Palatinus and P. Brázda

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Electron crystallography greatly expands organic and inorganic X-ray crystal structure determination

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Pushing the limits of material characterization using transmission electron microscopy at the University of Oviedo

Z. Amghouz, A. Adawy, J. R. García and S. García-Granda

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Diffraction effects of powder nano-scale materials

D. Yatsenko and S. Tsybulya

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Analysis of chemical short-range order using single-crystal diffuse scattering

E. M. Schmidt and R. B. Neder

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NanoMAX beamline, a nanoprobe beamline for scattering and imaging at MAX IV

A. Rodriguez Fernandez, U. Johansson, G. Carbone, A. Björling, S. Kalbfleisch, T. Stankevic, B. Bring, A. Mikkelsen and U. Vogt

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Correlated disorder in a metal–organic framework

E. Reynolds, M. Baise, A. Overy, A. Simonov, J. Gould, B. Slater and A. Goodwin

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Structural and optical characteristics of non-polar ZnO epitaxial films grown by radio-frequency magnetron sputtering

C.-H. Hsu, B.-H. Lin, W.-R. Liu and W.-F. Hsieh

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Structure of the conducting PANI/CSA polymer system as seen by XRD, neutron diffraction and advanced computer modelling

W. Łużny, M. Śniechowski and T. Kozik

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Combination of GIWAXS and TEM study in understanding polymer–fullerene fibrillar network structure

C.-T. Chen, S.-F. Liao and C.-Y. Chao

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X-ray absorption spectroscopy options for crystallographic research at BESSY II

D. Többens, G. Schuck, I. Zizak and S. Schorr

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Electron diffraction tomography of modulated minerals: the crystal structure of daliranite

M. Gemmi, A. Lanza, E. Mugnaioli, L. Bindi and W. H. Paar

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Application of laboratory X-ray diffraction equipment for pair distribution function (PDF) analysis

M. Gateshki, M. Sommariva, D. Beckers, S. Prugovecki and M. Fransen

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Ab initio structure determination from unindexed powder patterns by a global optimization approach using pattern comparison based on cross-correlation functions

S. Habermehl, C. Schlesinger and M. U. Schmidt

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Associating X-ray structure and antioxidant activity through UV–vis spectroscopy, cyclic voltammetry and DFT methods in emodin

M. Rossi, S. Belli, K. Wen and F. Caruso

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Polarisation via local ordering mechanisms

E. Wolpert, A. Overy, P. Thygesen, A. Simonov, M. Senn and A. Goodwin

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Polymorphism of NiSeO₃(H₂O) studied on multiphase crystals

M. Poupon, N. Barrier, O. Perez, M. Dušek and V. Petříček

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FeSbO₄ and other rutile-type mixed oxides revealing nano-structural flexibility

J. Canca, J. Hernández-Velasco, A. Landa-Cánovas and F. Agulló-Rueda

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Exploring modulation in molecular crystals at low temperatures

M. Sztylko and A. Hoser

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Unravelling the structure of vaterite using precession electron diffraction tomography

G. Steciuk, D. Chateigner and L. Palatinus

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AlCuRh decagonal quasicrystal – new techniques for the refinement

I. Buganski, R. Strzalka and J. Wolny

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Statistical method of structural description of complex systems

J. Wolny, I. Bugański, R. Strzałka and J. Śmietańska

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Phase transition of a spiral magnetic ordering in the Fe-based double perovskite

C.-H. Du, C.-H. Lai, Y.-H. Liang, Y.-C. Lai, C.-W. Wang, K. C. Rule, F.-C. Chou and S. Yano

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Neutron powder diffraction study of Tm₂Mn₂O₇ and Y₂Mn₂O₇ – pyrochlore obtained by yet another chemical route of synthesis

E. Pomjakushina, K. Rolfs, J. Karpinski, K. Conder and V. Pomjakushin

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On magnetic and crystal structures of NiO, MnO

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Crystal chemistry features and physical properties of three Mn phosphates

L. Shvanskaya, O. Yakubovich, G. Kiriukhina and A. Vasiliev

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Magnetic Raman scattering and symmetry analysis of complex-structure antiferromagnets Ni₂NbBO₆ and Fe₃BO₆

M. Prosnikov, S. Barilo, N. Lyubochko, S. Shiryaev, A. Smirnov, V. Davydov and R. Pisarev

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Towards objective crystallographic symmetry classifications of noisy 2D periodic images

P. Moeck and A. Dempsey

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Multidimensional crossed cube tilings

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Cl⋯Cl halogen bonds and N-oxide⋯N-oxide interactions in the crystal structure of pentachloropyridine N-oxide

A. Rybarczyk-Pirek, K. Wzgarda-Raj and M. Palusiak

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Cooperativity of halogen bonds – enhancing halogen-bond donating ability of halogenated pyridines through halogen bonding with N-haloimides

V. Stilinovic and D. Cinčić

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The halogen C—Br⋯S bonding in the crystal structure of an oxazole derivative: a charge-density study

M. Kubicki, A. Owczarzak, A. M. Grzeskiewicz, T. Stefanski and Z. Dutkiewicz

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Polymorphism in a 2D copper(I) coordination polymer based on a flexible ligand

O. Gómez-Paz, R. Carballo, E. M. Vázquez-López and A. B. Lago

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Sponge-like structures assisted by hydrogen bonds

T. Holczbauer, L. Bereczki, N. V. May, D. V. Horváth, R. Palkó, T. Soós and P. Bombicz

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Synthesis, structure and chemical properties of copper(II) complexes with 2,2′-bipyridine and L-serine: porous materials and polymorphism

D. Vušak, B. Prugovečki and D. Matković-Čalogović

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Discovering new cocrystals via coformer–network analysis

R. de Gelder, J.-J. Devogelaer, H. Meekes and E. Vlieg

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Solid-form landscapes and access to polymorphs and solvates of several chloronitrobenzoic acid isomers

A. Bērziņš, I. Kresse, E. Bogdanova and A. Actiņš

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Polymorphism in 2-propyl-1H-benzimidazole

N. De La Pinta, A. J. Cruz-Cabeza, T. Breczewski, X. M. Aretxabaleta, F. J. Zuñiga, M. M. Quesada-Moreno, J. R. Avilés-Moreno, J. J. López-González, R. M. Claramunt and J. Elguero

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Understanding supramolecular interactions with hydrogen-bond propensities

A. Maloney, E. Pidcock, R. Sykes and P. Wood

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Understanding supramolecular role in mechanochromic luminescent polymorphs

M. Echeverri and B. Gomez-Lor

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Supramolecular synthons: structural features in various crystalline environments

O. Lodochnikova

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Combining crystal structure prediction and structural comparison with experimental screening: a potential route to more polymorphs, including a 2-for-the-price-of-1 special

R. Montis, M. Hursthouse and J. Kendrick

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Liquid essential oils tamed in the solid forms by cocrystallization: from the design to the industrial application

P. Mazzeo, C. Carraro, S. Agazzi, F. Bianchi and A. Bacchi

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Insights into weak C—H⋯F—C interactions in C₆F₆:C₆H_6−nMe_n co-crystals using a combination of powder neutron and X-ray diffraction, single-crystal diffraction and DSC

J. K. Cockcroft

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Co-crystallisation of energetic materials with reduced sensitivity

N. Sen and C. R. Pulham

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Steroids as coformers in cocrystallization of PAHs and heterocycles

F. Topić, D. Tan and T. Friščić

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Access to several crystalline forms of R-encenicline hydrochloride using desolvation of various solvates

A. Kons and A. Actiņš

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Multicomponent crystals of sulfapyridine and sulfadiazine

N. B. Bathori, K. N. Shunje and E. J. C. de Vries

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Computional studies of droperidol/benperidol solid-solution phase formation

E. Sala, A. Bērziņš and K. Saršūns

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Structure and conformation of photosynthetic pigments and related compounds

D. Gibbons, K. J. Flanagan and M. O. Senge

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Crystal structure investigation for series of salts of 2Me-5NA with different acids

V. Medviediev and M. Daszkiewicz

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The impact of a stereogenic centre on the architecture of the water framework: 2-methylpyrrolidine and sec-butylamine hydrates

P. Rzepiński, L. Dobrzycki, M. Cyrański and R. Boese

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Porous supramolecular architectures based on π-stacking interactions between discrete metal–adenine entities and theobromine/caffeine methylxanthines

J. P. Colino, M. Perfecto-Irigaray, G. Beobide Pacheco, O. Castillo Garcia, A. Luque Arrebola and S. Pérez-Yañez

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Temperature-dependent supramolecular isomerism of lutetium–aminoterephthalate metal–organic frameworks: synthesis, crystallography and physical properties

A. Dikhtiarenko, P. Serra-Crespo, S. Castellanos, A. Pustovarenko, R. Mendoza-Meroño, S. García-Granda and J. Gascon

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Nanosheets of non-layered aluminium metal–organic frameworks through a surfactant-assisted method

A. Pustovarenko, M. G. Goesten, S. Sachdeva, Z. Amghouz, A. Dikhtiarenko, E. J. R. Sudhölter, F. Kapteijn, B. Seoane and J. Gascon

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Pharmaceutical salts of antidiabetic drugs: mechanochemical synthesis, solid-state characterization and solubility evaluation

D. Choquesillo-Lazarte, C. Verdugo-Escamilla, A. Calvo-Borika, R. Fernández-Penas and A. Rodríguez-Diéguez

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Combining crystal engineering strategies in the search for non-centrosymmetric single-crystal structures

J. Van de Velde and F. Blockhuys

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A systematic structural study of halogenated 2-phenylbenzimidazoles

L. Nagyné Bereczki, Z. Makó, D. Fegyverneki, N. V. May, T. Soós and P. Bombicz

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Altering the solid-state photochromic behaviour of N-salicylideneaniline molecular switches by co-crystallization

A. Carletta, N. Tumanov, T. Leyssens, B. Champagne and J. Wouters

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X-ray study of new titanium(III) complexes derived from salicylic acid derivatives and N,N-bidentate ligands or monodentate O-, N-ligands

P. Herich and J. Kožíšek

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Playing hopscotch with pyridine@p-tert-butylcalix[6]arene crystal structures

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Self-assembly and gelation capability of N-Boc-protected tyrosine-based retropeptides

M. Cetina, J. Matić, D. Maity and Z. Džolić

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Supramolecular analysis of intramolecular H-bonds in (P,N) chelates and (P,C) palladacycles: towards understanding the mechanism of asymmetric induction via crystal engineering

A. Benyei, G. Farkas and J. Bakos

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Guest loading into highly flexible MOF pores driven by molecular recognition: a stepwise SCXRD investigation

C. Carraro, D. Balestri, P. P. Mazzeo, P. Pelagatti, N. Demitri and A. Bacchi

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Synthetic strategies for delivering targeted supramolecular topologies of crystalline metal-containing solids

M. Đaković, I. Kodrin, C. B. Aakeröy and M. Borovina

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Hydrogen bonding in organic salt hydrates

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Magnetic properties of highly symmetrical compounds of cobalt(II) and nickel(II)

M. Koziel, K. Nowakowska, M. Gryl, D. Pinkowicz and W. Łasocha

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Molecular and crystal structure analysis of two new oxazol-5-one derivatives

M. İzmirli, I. H. Nazlı, D. T. Taşkıran, S. Alp and M. Aygün

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Molecules for electronics: understanding their intramolecular properties towards their incorporation in devices

B. Gómez-Lor, A. Benito, C. Ruiz and M. Echeverri

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Structural determination of biologically active N-phenyl-2-phthalimidoethanesulfonamide derivatives

M. Aygün, R. Sevinçek, D. Barut Celepci and O. Akgül

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Four 2-hydroxyethyl substituted NHC iodide complexes: structural characterization and theoretical comparisons

D. Barut Celepci, A. Aktaş, Y. Gök and M. Aygün

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New potentials for accurate and efficient ab initio crystal structure prediction methods

D. Bowskill, I. Sugden, C.-A. Gatsiou, C. S. Adjiman and C. C. Pantelides

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Applying fast, accurate lattice energies for molecular crystal structure prediction using CrystalExplorer model energies

P. Spackman and G. Day

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Synthesis, characterization and photochemical properties of a series of new Ni and Cu nitro complexes chelated by the (N,N,O)-type ligands

S. Kutyła, R. Kamiński, A. Krówczyński, D. Schaniel and K. N. Jarzembskaa

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An isosymmetric supercritical-like transition in an organic semiconductor

A. van der Lee, G. Roche, G. Wantz, J. Moreau, O. Dautel and J.-S. Filhol

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Pressure-induced metal–metal bond formation and HOMO–LUMO inversion in a single-component Pt-based molecular crystal

H. Yeung, C. Coates, A. Goodwin, H. Cui, R. Kato, T. Tsumuraya, M. Warren, D. Allan and D. Daisenberger

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Negative compressibility of a metal–organic framework?

S. Sobczak and A. Katrusiak

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A novel bismuth-containing metal–organic framework: the first example of a flexible bismuth MOF

E. Svensson Grape, H. Xu, O. Cheung and A. K. Inge

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Solvomorphism in the active pharmaceutical ingredient bismuth subgallate: microporous 1D, 2D and 3D coordination polymers

K. Inge, V. Rooth, E. Svensson Grape, S. Takki and T. Willhammar

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Design of new bi- and tri-periodic indium MOFs and their catalytic activity in the Strecker and Ugi multicomponent reactions

D. Reinares Fisac, L. M. Aguirre-Díaz, M. Iglesias, E. Gutiérrez-Puebla, F. Gándara and M. A. Monge

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Organometallosiloxanes and germoxanes as porous materials

A. Korlyukov, A. Vologzhanina, A. Goloveshkin, M. Es'kova and A. Bilyachenko

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Pressure-induced solid-state reactions of coordination polymers

A. Półrolniczak and S. Sobczak

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Extended networks based on nickelsiloxane units

M. Eskova and A. Korlyukov

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Engeneering novel porous 3D metallacrown frameworks, through the ligand periphery design

V. Marzaroli, L. Marchió, G. Spigolon, G. Licini, V. L. Pecoraro and M. Tegoni

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X-ray study of metal–organic framework compounds

M. Fronc, J. Kožíšek, L. G. Bahrin, L. Clima, S. Shova and V. Lozan

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Exploring the catalytic performances of a series of bimetallic MIL-100(Fe-Ni) MOFs

M. Gimenez-Marques, A. Santiago-Portillo, S. Navalón, F. Nouar, H. Garcia and C. Serre

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Sulfur polyconjugated organic ligands as building block in photoactive metal–organic frameworks

A. García Sánchez, M. Liras, F. Fresno, M. Barawi, E. Gutiérrez-Puebla, A. Monge, F. Gándara and V. A. de la Peña O'Shea

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Structural flexibility in the solid state

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New uranyl compounds with microporous frameworks

E. Nazarchuk, O. Siidra, D. Charkin and W. Depmeier

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Luminescent π–π-assembled complexes of Zn and Cd with anthracene functionalized ligands

S. Vasylevskyi, D. Bassani and K. Fromm

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Powder X-ray diffraction structural characterization and applications of cis-[Co^II(κ²N,N′-1,10-phenanthroline-5,6-dione)₂Cl₂

O. O. Abosede, J. Fernandes and S. Galli

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The dimeric nature of the Re^I complexes of the thiosemicarbazonate derived of 4-(dimethylamino)benzaldehyde

S. Argibay Otero, E. Vázquez-López and R. Carballo

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Organoruthenium complexes containing allylphosphite ligand

N. Álvarez Pazos

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In situ XRD and EXAFS/XANES study of xCuO–yAl₂O₃–zFe₂O₃ catalyst in reaction of CO oxidation

O. Bulavchenko, Z. Vinokurov, A. Saraev, V. Kaichev, A. Fedorov and A. Tsapina

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Supramolecular dimer of sandwich triple-decker phthalocyaninates studied by single-crystal X-ray diffraction analysis

A. Sinelshchikova, F. Dolgushin, G. Berezhnoy, A. Martynov, Y. Gorbunova and A. Tsivadze

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Coordination polymers of Group 1 and 2 metals with a dimeric capsular zwitterionic pyridinecarboxylate

A. Tiihonen and M. Lahtinen

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Copper based bio-MOFs: challenges and possibilities in crystal engineering

M. Kremer and U. Englert

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Giant organometallic molecular containers

A. Virovets, E. Peresypkina and M. Scheer

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Modifying the RheManTec triad – a small molecule meanders into the macromolecular world

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Effect of dehydration on zinc malonate complexes with 1,2-bis(pyridin-4-yl)ethylene

I. Ushakov, A. Goloveshkin, A. Vologzhanina, E. Zorina-Tikhonova, A. Chistyakov, A. Sidorov and I. Eremenko

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Structural analysis and antimicrobial activity of a new dithiocarbazate and its copper(II) complex

F. Lima, T. Silva, C. Martins and C. Gatto

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Novel isostructural and isoelectronic nickel(II) and palladium(II) complexes: crystallographic and spectroscopic evaluation

C. Almeida, J. G. Carvalho and C. Gatto

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Structurally diverse [Mn(salen)(NCS/NCSe)] complexes

J. Moncol and M. Schoeller

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Synthesis, structure and characterization of three barium aromatic coordination polymers displaying a hydrogen-bonded layer structure

F. Balegroune, A. Djeghri, A. Benkanoun and S. Dahaoui

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A new double metal oxalate compound with specific structural features

M. Hamadene, H. Kherfi and F. Balegroune

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Further structural adventures with bis-metallacarboranes

G. Rosair, A. Welch and A. Chan

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Crystal structure and DFT calculations of (6E)-6({[2-methoxy-5-(trifluoromethyl)phenyl]amino}methylidene)-4-nitrocyclohexa-2,4-dien-1-one

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The mononuclear MoO₂²⁺ complexes with stereochemically rigid 4-aminobenzhydrazide based ligands

G. Pavlović, D. Cvijanović, J. Pisk, M. Cindrić and V. Vrdoljak

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Crystal structure and thermal and mechanical properties of a herringbone-type Cu^II-based solid coordination framework

G. Barandika, F. Llano-Tomé, B. Bazán, M. K. Urtiaga and M. I. Arriortua

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New route to double perovskite oxides using a mixture of oxalate precursors

M. Jurić, J. Popović, L. A. Dubraja, F. Torić and D. Pajić

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Using pressure to enhance the magnetic exchange interactions within Cr^III dimers

H. Duncan, S. Parsons, E. Brechin, G. Rajaraman and H. Fraser

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Pore engineering through the supramolecular modification of Mo-based metallocycles: from 0D discrete cavities to 1D open channels

E. C. Mazarakioti, J. Lopez Cabrelles and G. Minguez Espallargas

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Topological analysis and properties of new imidazole-based systems as potential candidates for biological applications

A. Direm, M. S. M. Abdelbaky, K. Sayın, A. Cornia, O. Abosede and S. García-Granda

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Structures and physical properties of some derivatives of 2,2′;6′,2′′-terpyridine chelating Fe/Co metal complexes

I-J. Hsu, Y.-A. Chen, M.-J. Hsu, Y.-C. Chuang, J.-J. Lee and J.-F. Lee

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Unexpected long-lived photogenerated high-spin phase investigated by X-ray diffraction

C. Besnard, T. Delgado, A. Tissot, L. Guénée, A. Hauser, F. J. Valverde-Muñoz, J. A. Réal, Yu Wang and S. Pillet

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Halogen bonding, actinide contraction and coordination modes of ligands in uranyl, neptunyl and plutonyl trichloroacetates with ammonium cations

A. Savchenkov, A. Uhanov, M. Grigoriev, A. Fedoseev, D. Pushkin, L. Serezhkina and V. Serezhkin

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Bimetallic coordination compounds based on Al(acacCNen)₃: a building block between inertness and lability

K.-N. Truong, A. Nellessen, H. Crützen, H. Gildenast, J. Lange, H. Osseili, L. Ferres and U. Englert

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1D and 2D porosity in monomeric copper(II) complexes with 1-piperidineacetic acid and 1-piperidineacetamide

B. Prugovečki, D. Vušak, N. Smrečki and D. Matković-Čalogović

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Enhancing experimental exploration space with greater dimensions in modern printing

J. Musselle-Sexton and M. Probert

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A systematic study of radiation damage in transition metal chloride complexes with 1,5-cyclooctadiene ligands using diffraction and spectroscopy

C. Murray, A. Ganose, A. Regoutz, D. Scanlon and A. Thompson

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Reversible single-crystal to single-crystal phase transition of one Zn^II–salicyaldimine complex under non-ambient conditions

J.-J. Lee, J.-Y. Wu, C.-Y. Chang and C.-J. Tsai

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Crystal nickel(II) complexes with a bidentate hydrazone ligand

E. M. Vázquez-López, S. Argibay-Otero, O. Gómez-Paz and M. Vázquez-Toirán

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Evidencing size-dependent cooperative effects on spin cross-over nanoparticles of Hofmann type [Fe(pz)Pt(CN)₄] coordination polymers

L. Guenee, T. Delgado, C. Enachescu, A. Tissot, A. Hauser and C. Besnard

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Crystal structures and bioactivity studies of four novel chalcone and flavonol copper(II) complexes containing Schiff base co-ligand

A. Višnjevac, A. Zahirović, I. Osmanković, E. Turkušić and E. Kahrović

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Photoinitiated solid-state [2+2] cycloaddition reaction in [Zn₂(H₂O)₂(2-Amal)₂(bpe)] (2-Amal = 2-allylmalonate) crystal

A. Volodin, A. Korlyukov, A. Vologzhanina, E. Zorina-Tikhonova, A. Chistyakov, A. Sidorov and I. Eremenko

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(Mechano)synthesis, structure characterization and pharmacological evaluation of harmine derivatives as new anticancer compounds

L. Bodart, S. Marx, C. Meinguet, N. Tumanov and J. Wouters

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Study of thermo- and photochromic behaviour of a hydrazone system obtained by mechanosynthesis

M. Van Gysel, A. Carletta, N. Tumanov and J. Wouters

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Current status of time-resolved X-ray crystallography beamline TPS 09A at Taiwan Photon Source

H.-S. Sheu, Y.-W. Tsai, Y.-Y. Chang, W.-R. Liu, Y.-Y. Lee, L.-C. Wu, C.-K. Chang, K.-L. Yu and S.-L. Chang

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Sub-na and sub-ps time-resolved diffraction at CRISTAL beamline – SOLEIL synchrotron

S. Ravy, C. Laulhé, A. Ciavardini, A. Jarnac, F. Legrand, E. Elkaim, F. Berenguer and P. Fertey

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Understanding elastically driven cooperativity in molecular photomagnetic materials

A. Volte, C. Mariette, M.-L. Boillot, M. Cammarata, G. Azzolina, M. Levantino, R. Bertoni and M. Lorenc

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Multiscale real-time XRD probing of the semiconductor-to-metal ultrafast phase transition in Ti₃O₅ nanocrystals

C. Mariette, A. Volte, H. Tokoro, S.-I. Okhoshi, H. Lemke, M. Levantino, M. Cammarata and M. Lorenc

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High-resolution Guinier powder diffractometer combined with multilayer optics

S. Griessl, M. Reh, T. Holz, R. Dietsch and N. Huber

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Multiple Bragg reflections of neutrons related to a strong allowed reflection Si(004) in a cylindrically bent perfect crystal

P. Mikula, J. Šaroun, M. Vrána and V. Em

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Inside source X-ray fluorescent holography on NiO

G. Faigel, G. Bortel, M. Tegze and B. Angelov

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Local structure observation of Sm-doped RB₆ (R: rare earth) by white-neutron atomic resolution holography

S. Uechi, Y. Kanazawa, Y. Fukumoto, K. Ohoyama, M. Lederer, N. Happo, K. Hayashi, W. Matsuura and H. Iga

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Enhancement of accuracy of neutron atomic resolution holography

Y. Kanazawa, Y. Fukumoto, S. Uechi, K. Ohoyama, M. Lederer, N. Happo, K. Hayashi, M. Harada and K. Tsutsui

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Use of X-ray diffraction method for residual stress measurements in lean duplex stainless steel welds

N. Ouali, B. Belkessa, B. Cheniti and W. Bedjaoui

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The co-crystallization of the DNA sequences 5′CGTGAATTCACG-3′(S1) and 5′-CGCGAATTCGCG-3′(S2) with fluorescent markers and ligands

H. Sbirkova-Dimitrova, R. Nikolova, L. Dimowa, R. Rusev and B. Shivachev

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A high-throughput crystallisation facility interacting with the new VMXi beamline at the Diamond Light Source

H. Mikolajek, J. Sandy, J. Sanchez-Weatherby and T. Sorensen

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How do porous materials improve protein crystallization? Principle of dominant protein–protein adhesion mode

J. Hasek, T. Skálová, T. Kovaĺ, J. Dušková, T. Kovaĺová, L. Švecová, P. Kolenko and J. Dohnálek

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Crystallization of the quadruplex (GGGGTTTTGGGG)₂ with BRACO19

R. Nikolova, H. Sbirkova-Dimitrova, R. Rusev, L. Dimova and B. Shivachev

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Crystallization of putative copper-binding CrdA protein and helicase-like HP1026 protein from the human pathogen Helicobacter pylori

D. Matković-Čalogović, I. Kekez, V. Matković, M. Kekez and G. Zanotti

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A modelling study for cholesterol-binding proteins, NPC family protein

H. Yoon, E. S. Joo, S. Jang and H. Ho Lee

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Expanding partial structures by assembling most probable side-chain composition

R. Borges, M. Sammito, C. Millán, N. Soler, A. Medin, I. Caballero, M. R. M. Fontes and I. Usón

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The expected log-likelihood gain for decision making in molecular replacement

R. D. Oeffner, P. V. Afonine, C. Millán, M. Sammito, I. Usón, R. J. Read and A. J. McCoy

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jsCoFE, a cloud system for crystallographic computations from CCP4

E. Krissinel, A. Lebedev, C. Ballard, V. Uski and R. Keegan

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X-ray crystallography to cryo-electron microscopy: computing infrastructure in structural biology

J. Key, P. Meyer, C. Herre, M. Timony, D. Filonov, J. O'Connor and P. Sliz

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Structural and spectroscopic investigation on the crystallization behaviour of Bi₂Fe₄O₉

A. Kirsch, M. M. Murshed and T. M. Gesing

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Crystal structures of solid fluorine and nitrogen trifluoride

S. Ivlev, A. Karttunen, M. Hölzel and F. Kraus

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Yttrium-substituted bismuth oxides as high-temperature thermochromic materials

T. M. Gesing, A. Staubitz and X. Liu

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HEIMDAL@ESS – fast neutron powder diffraction for materials science

J. Schefer, J. Birk, S. L. Holm, D. Mannix, K. Iversen, R. Kolevatov, B. Hauback, K. Lefmann, L. Keller and M. Christensen

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Temperature-dependent structure changes of complex aluminium hydrides with Rb and Cs as metal cations

C. Weidenthaler and S. Gallus

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Low-temperature X-ray investigations using a Guinier diffractometer system

M. Tovar, G. Gurieva and S. Schorr

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Structural properties of (Ce,La)Pd₂Al_2−xGa_x compounds

P. Doležal, D. Kriegner, M. Klicpera, A. Rudajevová, J. Prchal and P. Javorský

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Beamline P02.1: a workhorse for high-resolution powder diffraction and total scattering experiments at PETRA III, DESY

M. Wharmby, M. Etter, J. Bednarcik, J.-C. Tseng, M. Wendt and S. Wenz

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Impact of tempering temperature on the properties of steel: an in situ X-ray diffraction study

A. Pein and M. Wiessner

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Women under high pressure

J. Contreras, M. Peña and S. Deemyad

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How symmetry in Islamic ornaments can be relevant to introduce symmetry in crystallography teaching

Y. Aboufadil, A. Thalal, M. A. E. Raghni and A. Jali

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Exploring structural biology on the web: to biologists and beyond

D. Armstrong and S. Velankar

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A model description of the crystalline state under external influences

B. Kodess and P. Kodess

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The crystallization competition in school: an innovative teaching/outreach tool for secondary schools

J. M. Garcia Ruiz, A. Garcia Caballero, F. J. Lahoz and M. A. Cuevas Diarte

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Symmetry groups in Islamic geometric art: ornamental patterns of Konya (Turkey) and Marrakech (Morocco)

A. Thalal, S. Ide, Y. Aboufadil, N. Ş. Doğan and Y. Koc

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New beamlines for macromolecular crystallography at MAX IV

T. Ursby, M. Eguiraun, A. Gonzalez, A. Gross, G. M. A. Lima, J. Nan, A. Shilova, J. Unge and U. Mueller

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Scaling data in the DIALS framework

J. Beilsten-Edmands, R. Gildea, B. Williams, D. Waterman, G. Evans and G. Winter

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Scanning electron diffraction reveals the crystalline microstructure of cellulose nano-crystals

T. Willhammar, D. Johnstone, Y. Liu, L. Bergström and P. A. Midgley

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Structural and biophysical characterisation of titin missense variants in genetic myopathies and cardiomyopathies

R. Nikoopour, M. Rees, M. Pfuhl, A. Ferreiro, P. Elliott and M. Gautel

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Structural studies of the five pilin proteins building up the type-V pilus Mfa1 of Porphyromonas gingivalis

K. Persson, M. Hal, T. Heidler and Y. Hasegawa

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Structural insights into the membrane-anchored model of FtsQ/FtsB/FtsL complex in divisome

Y. Choi, H. Ho Lee, C. V. Colin, P. Zuo, C. Darie and H. Klein

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The new chemical crystallography beamline at PETRA III

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Experimental and computational reduction of dynamic electron scattering allows visualizing individual hydrogen atoms

M. Clabbers, T. Gruene, E. van Genderen and J. P. Abrahams

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Selection of tautomers in the solid state driven by metals and other inorganic components

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Reactions of C-halogen bond activation mediated by a rhodium POP complex

L. A. de las Heras Martín, S. G. Curto, M. A. Esteruelas, M. Oliván and E. Oñate

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Solid-state thermochromism in an octahedral Co^II complex studied by X-ray powder diffraction

R. Pedrero Marín, F. J. Barros-García, A. Bernalte-García and F. Luna-Giles

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Advances

Recently published Advances articles are given below.

The transformation matrices (distortion, orientation, correspondence), their continuous forms and their variants C. Cayron (2019). Acta Cryst. A75, https://doi.org/10.1107/S205327331900038X.

Shape transform phasing of edgy nanocrystals J. P. J. Chen, J. J. Donatelli, K. E. Schmidt & R. A. Kirian (2019). Acta Cryst. A75, 239-259.

Characterizing modulated structures with first-principles calculations: a unified superspace scheme of ordering in mullite P. B. Klar, I. Etxebarria & G. Madariaga (2019). Acta Cryst. A75, https://doi.org/10.1107/S2053273319000846.

CO₂ adsorption in Y zeolite: a structural and dynamic view by a novel principal-component-analysis-assisted in situ single-crystal X-ray diffraction experiment E. Conterosito, L. Palin, R. Caliandro, W. van Beek, D. Chernyshov & M. Milanesio (2019). Acta Cryst. A75, https://doi.org/10.1107/S2053273318017618.

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