JOINT POLISH-GERMAN CRYSTALLOGRAPHIC MEETING 2020 JPGCM-2020 - POLISH CRYSTALLOGRAPHIC ASSOCIATION
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Polish Crystallographic
Association
© promesaartstudio l Fotolia.com
Joint Polish-German
Crystallographic
Meeting 2020
JPGCM-2020
24–27 february 2020
Wrocław/Poland
Programme www.dgk-conference.de
General Information
The Whole is Truly Greater Than
the Sum of the Parts – Our Best
Solutions for Your Best Research.
www.bruker.com/scd
Crystallography
Innovation with Integrity
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Table of contents
Organisation . ........................................................................................................................... 4
Welcome note . ........................................................................................................................ 5
Programme overview
Monday, 24 February and Tuesday, 25 February . ............................................................ 6
Wednesday, 26 February and Thursday, 27 February ...................................................... 7
Scientific programme
Monday, 24 February ........................................................................................................ 8
Tuesday, 25 February . ....................................................................................................... 11
Wednesday, 26 February . ................................................................................................. 18
Thursday, 27 February ....................................................................................................... 24
Poster presentations ................................................................................................................ 28
Social programme .................................................................................................................... 42
Young crystallographers . ......................................................................................................... 43
General information ................................................................................................................ 44
Sponsors, exhibitors and media cooperations ........................................................................ 46
Industrial symposia .................................................................................................................. 47
Index of speakers, authors and chairs ..................................................................................... 48
Design and layout
Layout krea.tif-art UG (haftungsbeschränkt)
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Circulation 400
Editorial Deadline 4 February 2020
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Organisation Venue Congress Center Wrocław University of Science and Technology Conference website www.dgk-conference.de Organiser Polish Crystallographic Association (PCA) and German Crystallographic Society (DGK) Conference under the auspices of the Rector of the Wrocław University of Science and Tech- nology, Prof. Dr. hab. Cezary Madryas Co-organisers: Faculty of Chemistry University of Warsaw, Łódź University of Technology, Committee for Crystallography Polish Academy of Sciences Conference chairs Prof. Dr. hab. inż. Marek Główka Łódź University of Technology (Łódź/PL) Prof. Dr. hab. Marek Wołcyrz Institute of Low Temperature and Structure Research, Polish Academy of Sciences (Wrocław/PL) Prof. Dr. Susan Schorr Helmholtz-Zentrum Berlin (Berlin/DE) Prof. Dr. Udo Heinemann Max-Delbrück-Center for Molecular Medicine (Berlin/DE) International programme committee Robert Dinnebier (Stuttgart/DE) Matthias Bochtler (Warsaw/PL) Thomas Doert (Dresden/DE) Mariusz Jaskólski (Poznań/PL) Claudia Weidenthaler (Mülheim an der Ruhr/DE) Ilona Turowska-Tyrk (Wrocław/PL) Philipp Wöhrle (Freiburg i. Br./DE) Krzysztof Woźniak (Warsaw/PL) Professional congress organiser Conventus Congressmanagement & Marketing GmbH Anja Hannawald Phone +49 3641 31 16-327 anja.hannawald@conventus.de www.conventus.de 4
Welcome note
Dear colleagues,
we are pleased to welcome you to the Joint Polish-German Crystallographic Meeting 2020 in
Wrocław. This is a unique event in the 28-year history of the DGK Conference and the 65-year
history of the Polish Crystallographic Meeting. We are looking forward to this first bilateral
meeting of the crystallographic communities of Germany and Poland with the participation
of guests from other European countries and the world. We would like our joint conference
to allow us to get to know each other better, share our enthusiasm for crystallography and
establish scientific cooperations for joint future research.
The conference takes place in Wrocław, a city with over a thousand years of history, a strong
cultural, academic and scientific center. We are convinced that the climate of this city as well as
the openness and kindness of its inhabitants will create friendly conditions for our conference.
The Meeting will be held at the Congress Center of Wrocław University of Science and Tech-
nology, which is open to us thanks to the kindness of the rector of the university, who took
our conference under his patronage. The Congress Center is located within the main campus
of the university; so, conference participants will be able to blend into the everyday life of the
largest university in Lower Silesia and feel its pulse.
We wish all conference participants a pleasant and interesting experience in the lecture halls,
in front of poster boards, at the commercial exhibition and the foyer of the center. As usual,
we invite you to a joint welcome reception and conference social evening in the Africarium,
the modern oceanarium building of the Wrocław Zoo. In spite of the exciting conference pro-
gramme, we trust that you will find the time to visit the historical Wrocław Market Square,
Cathedral Island or one of the many other famous Wrocław monuments and museums.
See you soon in Wrocław,
Susan Schorr, Marek Wołcyrz, Udo Heinemann and Marek Główka
Conference co-chairs
5
Programme overview
Monday, 24 February Tuesday, 25 February
Lecture hall Lecture hall Lecture hall Seminar Lecture hall Lecture hall Lecture hall Seminar
10AC 10B 10D room 115 10AC 10B 10D room 115
09.00–12.30 09.00–10.30
DGK board Bio‐Crystal‐ Structure‐ in situ /in
meeting lography I property‐ operando
relation‐ studies
ships I
p. 11 p. 12 p. 12
11.00–12.00
Plenary talk
Ben Luisi
p. 13
12.00–13.30 12.00–13.00
DGK general PCA general
assembly assembly
13.00–13.30
Opening
13.30–14.30 13.30–14.30
Plenary talk Plenary talk
Rolf Hilgenfeld Lukasz
Palatinus
p. 8 p. 13
14.30–16.00 14.30–15.30
Inorganic Micro‐ and Solid state Rigaku
crystal nano‐ physics in Europe SE
structures I crystalline crystal‐
materials lography p. 47
15.30–17.00
p. 8 p. 9 p. 10 Bio‐Crystal‐ Organic Lightning
lography II: molecules and talks of
coordination
16.30–17.00 Enzymes young crystal‐
compounds I
Laue talk lographers
p. 14 p. 15 p. 15
p. 10 17.00–18.30
17.00–18.00 Poster session I
DGK (even ID's)
Honours p. 28
session
18.00–20.00
Welcome reception
p. 42
6
Programme overview
Wednesday, 26 February Thursday, 27 February
Lecture hall Lecture hall Lecture hall Seminar Lecture hall Lecture hall Lecture hall Seminar
10AC 10B 10D room 115 10AC 10B 10D room 115
09.00–10.30 09.00–10.00
Bio‐Crystal‐ Structure‐ Organic Plenary talk
lography III: property‐ Molecules and Maria
Instrumen‐ coordination Fernández‐Díaz
relation‐
tation & compounds II p. 24
ships II
hybrid 10.00–11.00
methods Get together
p. 18 p. 19 p. 19 young crystallo‐
Meeting AK1 graphers
p. 43
11.00–12.00 11.00–12.30
Plenary talk Disordered Spec‐ Instrumen‐
Christiane Materials and troscopy tation
Stephan‐ Complex and
Scherb p. 20 12.00–12.30 aperiodic
Meeting AK6 structures
12.30–13.30 p. 24 p. 25 p. 25
Bruker AXS 12.30–13.00
GmbH Closing p. 26
p. 47
13.30–14.30
Plenary talk
Andrzej
Katrusiak
p. 21
14.30–16.00
Inorganic Extreme/ Quantum
crystal non‐ambient crystal‐
structures II conditions lography
p. 21 p. 22 p. 23
16.00–17.30
Poster session II
(odd ID's)
p. 28
18.30–23.00
Social evening at Wrocław Zoo p. 42
Sessions
Poster session
Plenary talk
Meetings
Industrial symposium
Social programme
7
Scientific programme i Monday, 24 February
09.00–12.30 DGK Board meeting
13.00–13.30 Opening
Lecture hall 10AC
13.30–14.30 Plenary lecture
Lecture hall 10AC
Chair Udo Heinemann (Berlin/DE)
From SARS to MERS and the 2020 Wuhan pneumonia virus – How X-ray
crystallography can help fight emerging viruses?
Rolf Hilgenfeld (Lübeck/DE)
14.30–16.00 Inorganic crystal structures I
Lecture hall 10AC
Chairs Anna Gągor (Wrocław/PL), Thomas Doert (Dresden/DE)
14.30 Fundamental bonding concepts of inorganic chemistry revisited
S01-1 Simon Grabowsky (Bern/CH), Malte Fugel (Bremen/DE)
14.45 Structural properties of whitlockite related synthetic materials:
S01-2 Some recent results
Wojciech Paszkowicz (Warsaw/PL)
15.00 Novel boron-rich compound B314.6H9
S01-3 Claudio Eisele (Bayreuth/DE), Christian B. Huebschle (Bayreuth,Karlsruhe/DE)
Swastik Mondal (Kolkata/IN), Somnath Dey (Aachen/DE)
Carsten Paulmann (Hamburg/DE), Sander van Smaalen (Bayreuth/DE)
15.15 Systematics of the allotrope formation in elemental gallium films
S01-4 Dieter Fischer (Stuttgart/DE), Bohdan Andriyevsky (Koszalin/PL)
Christian Schön (Stuttgart/DE)
15.30 Pyrolysis of tri-metaphosphimic acids and its salts
S01-5 Daniel Günther, Christoph Kalischer, Oliver Oeckler (Leipzig/DE)
15.45 Crystallographic studies on fossilized elephant teeth
S01-6 Nataniel Białas, Oleg Prymak (Essen/DE), Ningthoujam Premjit Singh
Rajeev Patnaik (Chandigarh/IN), Kateryna Loza, Matthias Epple (Essen/DE)
8
Scientific programme i Monday, 24 February
14.30–16.00 Micro- and nanocrystalline materials
Lecture hall 10B
Chairs Ute Kolb (Mainz/DE), Zbigniew Kaszkur (Warsaw/PL)
14.30 Structure and morphology of MoNi4/MoO2@Ni electrocatalytic systems for
S02-1 fast water dissociation
Ehrenfried Zschech, Emre Topal, Zhongquan Liao, Jürgen Gluch
Markus Löffler (Dresden/DE), Stephan Werner, Peter Guttmann
Gerd Schneider (Berlin/DE), Jian Zhang, Xinliang Feng (Dresden/DE)
14.45 In situ observations of single grain behavior during plastic deformation in
S02-2 polycrystalline Ni using energy dispersive Laue diffraction
Ullrich Pietsch, Mohammad Shokr (Siegen/DE), Lothar Strüder (München/DE)
Christoph Kirchlechner (Düsseldorf/DE), Christoph Genzel (Berlin/DE)
15.00 Microsecond-resolved look at the very early stages of quantum
S02-3 dot formation
Andreas Magerl (Erlangen/DE)
15.15 Diffusion and segregation kinetics in immiscible metallic nanoalloys Au-Pt
S02-4 Ilia Smirnov, Zbigniew Kaszkur (Warsaw/PL)
15.30 Application of electron diffraction tomography on incommensurate
S02-5 crystal structures
Emilia Götz (Darmstadt/DE), Ute Kolb (Darmstadt, Mainz/DE)
Sergi Plana Ruiz, Hans-Joachim Kleebe, Maximilian Trapp (Darmstadt/DE)
15.45 On the investigation of the adsorbate evolution in mesoporous silicon by
S02-6 combining anomalous small-angle X-ray scattering and physisorption
of Xenon
Armin Hoell, Eike Gericke, Dirk Wallacher, Giorgia Greco, Michael Krumrey
Klaus Rademann, Simone Raoux (Berlin/DE)
9
Scientific programme i Monday, 24 February
14.30–16.00 Solid state physics in crystallography
Lecture hall 10D
Chairs Radosław Przeniosło (Warsaw/PL), Jürgen Schreuer (Bochum/DE)
14.30 Random structure search – solving the kesterite-stannite puzzle in
S03-1 (Cu,Ag)2ZnSnSe4
Daniel Fritsch, Susan Schorr (Berlin/DE)
14.48 Interactions of ruddlesden-popper phases and migration-induced
S03-2 field-stabilized polar phase in Strontium titanate
Christian Ludt, Matthias Zschornak (Freiberg/DE)
15.06 Thermal diffuse scattering X-ray measurements on a metal-organic
S03-3 framework compound and on thiourea with high energy photons
Julia Büscher, Michał Stękiel, Dominik Spahr
Eiken Haussühl (Frankfurt am Main/DE), Oleh Ivashko
Martin von Zimmermann, Ann-Christin Dippel (Hamburg/DE)
Björn Winkler (Frankfurt am Main/DE)
15.24 Verification of the de Wolff hypothesis concerning the symmetry of β-MnO2
S03-4 Piotr Fabrykiewicz, Radosław Przeniosło, Izabela Sosnowska (Warsaw/PL)
Francois Fauth (Cerdanyola del Valles/ES), Dariusz Oleszak (Warsaw/PL)
15.42 New perspectives of neutron diffraction at National Centre for Nuclear
S03-5 Research Świerk (for Polish and German crystallographic community)
Krzysztof Kurek (Świerk/PL)
16.30–17.00 Special lecture laureate Max-von-Laue Award
Lecture hall 10AC
Chair Ralf Ficner (Göttingen/DE)
Restructuring of colloidal solid-liquid interfaces by total scattering
Mirijam Zobel (Bayreuth/DE)
17.00–18.00 DGK Honours session
Lecture hall 10AC
18.00–20.00 Welcome reception
Foyer see page 42
10Scientific programme i Tuesday, 25 February
09.00–10.30 Bio-Crystallography I – Signalling, macromolecular interactions and other
Lecture hall 10AC new structures
Chairs Grzegorz Bujacz (Łódź/PL), Roman Fedorov (Hanover/DE)
09.00 Structural and functional principles of a novel family of nucleic acid helicases
S04-2 Johann Jonas Roske, Sunbin Liu, Bernhard Loll, Ursula Neu
Markus C. Wahl (Berlin/DE)
09.18 F2X Universal and F2X Entry – chemically highly diverse libraries for
S04-3 crystallographic fragment screening at HZB
Jan Wollenhaupt (Marburg/DE), Tatjana Barthel (Berlin/DE)
Alexander Metz (Marburg/DE), Gustavo Lima (Lund/SE), Dirk Wallacher
Thomas Hauss, Martin Gerlach, Christian Feiler, Markus C. Wahl (Berlin/DE)
Uwe Müller (Lund/SE), Gerhard Klebe (Marburg/DE)
Manfred S. Weiss (Berlin/DE)
09.36 Engineered variants of β-lactoglobulin with multiple binding sites
S04-4 for ligands
Joanna Loch, Joanna Sławek (Kraków/PL), Jakub Barciszewski (Poznań/PL)
Paulina Wróbel (Kraków/PL), Wladek Minor (Charlottesville/US)
Krzysztof Lewiński (Kraków/PL)
09.54 Crystal structures of β-D-galactosidase from Arthrobacter sp. 32cB:
S04-5 cold adaptation and active site architecture
Grzegorz Bujacz, Maria Rutkiewicz, Anna Bujacz (Łódź/PL)
10.12 The rough nanotexture of calcium carbonate biocrystals is not an indication
S04-6 of growth by particle attachment, but by crystallization from an amorphous
precursor
Antonio Checa (Armilla, Granada/ES), Elena Macías-Sánchez (Potsdam/DE)
Antonio Sánchez-Navas (Granada/ES), Nelson Lagos (Santiago de Chile/CL)
11Scientific programme i Tuesday, 25 February
09.00–10.30 Structure-property-relationships I
Lecture hall 10B
Chairs Agata Białońska (Wrocław/PL), Dietmar Stalke (Göttingen/DE)
09.00 MIDAS - Mapping the irregularity of distribution of atoms in space
S05-1 Wolfgang Hornfeck (Prague/CZ)
09.15 How different should similar diffraction patterns be to indicate polymorphs?
S05-2 Marek Główka (Łódź/PL)
09.30 Neutron single crystal diffraction investigation of tetragonal compounds in
S05-3 the Cs2CuCl4-xBrx mixed system
Natalija van Well (Munich, Bayreuth/DE), Björn Pedersen (Garching, Munich/DE)
Soraya Heuss-Aßbichler (Munich/DE), Andreas Schönleber
Sander van Smaalen (Bayreuth/DE)
09.45 Old tricks for a new dog – crystallographic toolboxes for halide perovskites
S05-4 Joachim Breternitz, Susan Schorr (Berlin/DE)
10.00 Raman Spectroscopy – a quantitative method for analyzing stress states in
S05-5 quartzite
Klaus-Juergen Huenger, Matti Danneberg (Cottbus/DE), Joerg Acker
(Senftenberg, Cottbus/DE), Steven Herold (Cottbus, Senftenberg/DE)
10.15 Structural control of thermomechanical properties of piezoelectric
S05-6 rare-earth calcium oxoborates
Marie Münchhalfen, Jürgen Schreuer (Bochum/DE), Erik Mehner
Hartmut Stöcker, Christoph Reuther, Jens Götze (Freiberg/DE)
09.00–10.30 in situ/in operando studies
Lecture hall 10D
Chairs Michał Cyrański (Warsaw/PL), Robert Dinnebier (Stuttgart/DE)
09.00 In operando diffraction radiography and tomography on Li-Ion batteries
S06-1 Alexander Schökel (Hamburg/DE), Anatoliy Senyshyn, Volodymyr Baran
(Garching b. München/DE)
09.15 A new type of sapphire single-crystal gas pressure cells for in situ neutron
S06-2 scattering
Raphael Finger, Holger Kohlmann (Leipzig/DE)
12Scientific programme i Tuesday, 25 February
09.30 Remarkable anisotropic thermal expansion in coordination compounds
S06-3 Gianpiero Gallo (Stuttgart/DE, Salerno/IT), Sebastian Bette, Robert E.
Dinnebier (Stuttgart/DE), Khushboo Yadava, Zhihui Chen, Jagadese J.
Vittal (Singapore/SG)
09.45 Metal-support interactions in gold quasicrystals deposited on cerium (IV)
S06-4 oxide catalyst revealed by in-operando powder X-ray diffraction coupled
with Mass Spectrometry
Maciej Zieliński, Zbigniew Kaszkur (Warsaw/PL)
10.00 In-situ XRD and PDF investigation of MF3.3H2O (M = Fe, Cr) in controlled
S06-5 atmosphere – accessing new phases with controlled chemistry
Gwilherm Nenert (Almelo/NL), Kerstin Forsberg (Stockholm/SE)
10.15 Operando XRD studies of selected NaxMnO2 and MoS2 electrode materials
S06-6 for Na-ion batteries.
Andrzej Kulka, Katarzyna Walczak, Anna Plewa, Justyna Płotek (Kraków/PL)
11.00–12.00 Plenary lecture
Lecture hall 10AC
Chair Krzysztof Woźniak (Warsaw/PL)
Machines of riboregulation and transport
Ben Luisi (Cambridge/GB)
12.00–13.30 DGK General assembly
Lecture hall 10AC
12.00–13.00 PCA General assembly
Lecture hall 10B
13.30–14.30 Plenary lecture
Lecture hall 10AC
Chair Marek Wołcyrz (Wrocław/PL)
Structure analysis by electron diffraction – current status and prospects
Lukasz Palatinus (Prague/CZ)
14.30–15.30 Industrial symposium Rigaku Europe SE
Seminar room 115 see page 47
13Scientific programme i Tuesday, 25 February
15.30–17.00 Bio-Crystallography II – Enzymes
Lecture hall 10AC
Chairs Krzysztof Lewiński (Kraków/PL), Gert Weber (Berlin/DE)
15.30 Crystal structure and biochemical characterization of the plastic-degrading
S07-1 Ideonella sakaiensis MHETase
Gottfried Palm, Lukas Reisky, Dominique Böttcher, Henrick Müller
Emil Michels, Miriam Walczak, Leona Berndt (Greifswald/DE),
Manfred S. Weiss (Berlin/DE), Uwe Bornscheuer (Greifswald/DE),
Gert Weber (Greifswald/DE)
15.45 Half way to hypusine – structural insights into human deoxyhypusine
S07-2 synthase
Przemyslaw Grudnik, Elżbieta Wątor, Piotr Wilk (Kraków/PL)
16.00 Identification and characterization of the bottromycin epimerase BotH
S07-3 expands the catalytic scope of alpha/beta-hydrolases
Jesko-Alexander Köhnke (Saarbrücken/DE)
16.15 Structural characteristics of D-2-hydroxyacid dehydrogenase family
S07-4 Jan Kutner (Warsaw/PL), Dorota Matelska (Warszawa/PL), Ivan G.
Shabalin (Charlottesville, Virginia/US), Krzysztof Ginalski (Warszawa/PL)
Krzysztof Woźniak (Warsaw/PL), Władek Minor (Charlottesville, Virginia/US)
16.30 Approach towards stabilization of misfolded lossoffunction variants
S07-5 of human prolidase
Piotr Wilk, Elżbieta Wątor (Kraków/PL), Maria Rutkiewicz
Manfred S. Weiss (Berlin/DE)
16.45 Aromatic amino acids aminotransferase from Psychrobacter sp.
S07-6 B6 - enzyme active site adaptability
Anna Bujacz, Jędrzej Rum, Maria Rutkiewicz (Łódź/PL)
14Scientific programme i Tuesday, 25 February
15.30–17.00 Organic molecules and coordination compounds I
Lecture hall 10B
Chairs Rafał Kruszyński (Łódź/PL), Christian Lehmann (Mülheim/DE)
15.30 Ab initio structure prediction of metal-organic frameworks
S08-1 Mihails Arhangelskis (Warsaw/PL), James P. Darby (Cambridge/GB)
Athanassios D. Katsenis, Joseph M. Marrett, Tomislav Friščić (Montreal/CA)
Andrew J. Morris (Birmingham/GB)
15.45 Calcium acetate hydrates – simple salts with surprisingly complex crystal
S08-2 structures
Sebastian Bette, Michael, M. X. Müller, Gerhard Eggert, Thomas Schleid
Robert E. Dinnebier (Stuttgart/DE)
16.00 Giant supramolecules meet synchrotron radiation – Experience with
S08-3 DESY P11 and P24 beamlines
Alexander Virovets, Eugenia Peresypkina (Regensburg/DE, Novosibirsk/RU)
Manfred Scheer (Regensburg/DE)
16.15 Crystal structure engineering with FlexCryst by visualization of the
S08-4 intermolecular interactions
Detlef W. M. Hofmann (Pula/IT), Liudmila Kuleshova (Uttenreuth/DE)
16.30 Synchrotron-based structural studies of coordination compounds with
S08-5 interesting magnetic properties
Tadeusz M. Muzioł (Toruń/PL), Robert Podgajny (Kraków/PL)
Natalia Tereba, Grzegorz Wrzeszcz (Toruń/PL)
16.45 Photocrystallographic studies of a series of novel nickel(II) nitro complexes
S08-6 in the crystal state
Patryk Borowski, Sylwia Kutniewska, Radosław Kamiński
Katarzyna Jarzembska (Warsaw/PL)
15.30–17.05 Lightning talks of young crystallographers
Lecture hall 10D
Chairs Jan Philipp Wöhrle (Freiburg i. Br./DE), Linda Kerkhoff (Cologne/DE)
15.30 Dicarboxylic acids – versatile ligands for metal-organic synthesis
LT-1 Marius Kremer, Ulli Englert (Aachen/DE)
15Scientific programme i Tuesday, 25 February
15.35 Ferromagnetic interaction in a new semi-rigid tricarboxylate-bridged
LT-2 Ni2+ Complex
Yanyan An (Taiyuan/CN, Aachen/DE), Liping Lu (Taiyuan/CN)
Englert Ullrich (Aachen/DE), Miaoli Zhu (Taiyuan/CN)
15.40 Dihydroorotases from pathogenic bacteria
LT-3 Joanna Sławek (Kraków/PL), Dylan Miks, Ivan G. Shabalin
Wladek Minor (Charlottesville/US), Krzysztof Lewiński (Kraków/PL)
15.45 NASICON-Na3Fe2-yMny(PO4)3 cathode materials for Na-ion batteries:
LT-4 comprehensive analysis of the relationship between structural
and electrochemical properties using HT-XRD and operando-XRD studies
Katarzyna Walczak, Bartłomiej Gędziorowski, Andrzej Kulka
Janina Molenda (Kraków/PL)
15.50 New zinc coordination compounds as effective luminophores and
LT-5 precursors of ZnO nanoparticles
Marcin Świątkowski, Rafał Kruszyński (Łódź/PL)
15.55 Towards better atomic displacement parameters in structural
LT-6 macromolecular models from micro-electron diffraction
Marta Kulik, Michał Leszek Chodkiewicz, Paulina Maria Dominiak (Warsaw/PL)
16.00 Polymorphism and resulting luminescence properties of 1-acetylpyrene
LT-7 Daniel Tchoń, Damian Trzybiński (Warsaw/PL)
Anna Wrona-Piotrowicz (Łódź/PL), Anna Makal (Warsaw/PL)
16.05 Understanding cation distribution in Zn1+xGeN2Ox (x < 0.1)
LT-8 Zhenyu Wang (Berlin, Berlin/DE), Joachim Breternitz
Alexandra Franz (Berlin/DE), Susan Schorr (Berlin, Berlin/DE)
16.10 Structures of phosphorylated hydroquinolinols – molecular and
LT-9 supramolecular aspects
Anna Pietrzak, Jacek Koszuk, Tomasz Janecki, Wojciech Wolf (Łódź/PL)
16.15 In situ crystallization and structural investigation of binary cocrystals
LT-10 of diamines and diols
Grzegorz Cichowicz, Michał Cyrański, Roland Boese
Łukasz Dobrzycki (Warszawa/PL)
16Scientific programme i Tuesday, 25 February
16.20 Allogon isomerism in a series of high spin Fe(II) complexes
LT-11 Beatrice Braun Cula (Berlin/DE)
16.25 Structural and macroscopic investigation of CrAs at low temperatures
LT-12 and High Pressures
Andreas Eich (Jülich/DE), Andrzej Grzechnik (Aachen/DE)
Thomas Müller (Garching/DE), Carsten Paulmann (Hamburg/DE)
Karen Friese (Jülich/DE)
16.30 DHS structure and function – on the crossroads between polyamines
LT-13 and posttranslational modification
Elżbieta Wątor, Piotr Wilk, Przemysław Grudnik (Kraków/PL)
16.35 Preferential orientation of Ce1-xLnxO2-y nano-sized crystallites in star-shaped
LT-14 hierarchical porous particles
Piotr Woźniak, Małgorzata A. Małecka (Wrocław/PL)
16.40 A study of transport properties at the single-crystal based charge transfer
LT-15 interfaces
Bipasha Debnath, Michael Bretschnieder, Shu-Jen Wang
Martin Knupfer, Bernd Büchner, Yulia Krupskaya (Dresden/DE)
16.45 Intermolecular orbital interactions in the structures with systems
LT-16 containing aromatic N-Heterocyclic rings
Tomasz Sierański (Łódź/PL)
16.50 Crystal structures and phase transitions of imidazolium hypodiphosphates
LT-17 Daria Budzikur, Vasyl Kinzhybalo, Katarzyna Ślepokura (Wrocław/PL)
16.55 Benzonitrile substituted 1,3-Diketones as linkers for heterobimetallic MOFs
LT-18 Ulli Englert, Steven van Terwingen (Aachen/DE)
17.00 Non-linear optical properties and topology of hydrogen bonding patterns
LT-19 of (S)-2-amino-3-guanidinopropanoic acid monochloride
Piotr Rejnhardt, Marek Daszkiewicz, Jan K. Zaręba (Wrocław/PL)
17.00–18.30 Poster session I
Foyer see page 28
17Scientific programme i Wednesday, 26 February
09.00–10.30 Bio-Crystallography III – Instrumentation & hybrid methods
Lecture hall 10AC
Chairs Maciej Kozak (Kraków/PL), Thomas Schneider (Hamburg/DE)
09.00 Crystallographic research opportunities at Polish synchrotron:
S09-1 NSRC SOLARIS
Marek Stankiewicz (Kraków/PL), Maciej Kozak (Poznań, Kraków/PL)
Tomasz Kołodziej, Adriana Wawrzyniak, Michal Rawski, Paulina Indyka
Kinga Wróbel, Sebastian Glatt (Kraków/PL)
09.15 Structural biology at the refurbished European Synchrotron
S09-2 Christoph Müller-Dieckmann (Grenoble/FR)
09.30 Biocrystallography at beamline P11
S09-3 Johanna Hakanpää, Eva Crosas, Sofiane Saouane, Jan Meyer
Jakob Urbschat, Bernd Reime, Alke Meents, Anja Burkhardt (Hamburg/DE)
09.45 T-REXX – PETRA‐III‘s new endstation for serial time‐resolved crystallography
S09-4 Michael Agthe, David von Stetten, Gleb Bourenkov
Maxim Polikarpov (Hamburg/DE), Sam Horrell (Didcot/GB)
Briony Yorke (Leeds/GB), Godfrey S. Beddard (Edinburgh/GB)
Marina Nikolova, Ivars Karpics, Thomas Gehrmann, Jochen Meyer
Uwe Ristau, Stefan Fiedler (Hamburg/DE), Diana C.F. Monteiro
Martin Trebbin (Buffalo/US), Pedram Mehrabi, Eike-Christian Schulz
Friedjof Tellkamp, R.J. Dwayne Miller, Nils Huse, Arwen R. Pearson
Thomas R. Schneider (Hamburg/DE)
10.00 Neutron protein crystallography at the Heinz Maier-Leibnitz Zentrum (MLZ):
S09-5 New developments and recent application examples
Tobias Erich Schrader, Andreas Ostermann (Garching/DE)
Michael Monkenbusch, Bernhard Laatsch (Jülich/DE), Philipp Jüttner
Winfried Petry (Garching/DE), Dieter Richter (Garching, Jülich/DE)
10.15 Construction of highly ordered materials composed of protein containers
S09-6 and plasmonic nanoparticles
Marcel Lach, Tobias Beck (Hamburg/DE)
18Scientific programme i Wednesday, 26 February
09.00–10.30 Structure-property-relationships II
Lecture hall 10B
Chairs Agata Białońska (Wrocław/PL), Dietmar Stalke (Göttingen/DE)
09.00 Structure-property relationships in a reinforced calcium phosphate cement
S10-1 based on metastable α′-tricalcium phosphate
Anton Goncharenko, Zoltan Zyman (Kharkiv/UA), Matthias Epple (Essen/DE)
Olena Onyshchenko (Kharkiv/UA), Oleg Prymak, Kateryna Loza (Essen/DE)
09.15 Cu/Zn disorder vs. solar cell efficiency – the Cu2ZnSn(SxSe1-x)4 monograin case
S10-2 Galina Gurieva, Alexandra Franz (Berlin/DE), K. Muska, K. Ernits (Tallin/EE)
Susan Schorr (Berlin/DE)
09.30 Structural versatility in methylhydrazinium lead halides; new perovskites
S10-3 with exceptional optical and dielectric properties
Mirosław Mączka, Anna Gągor, Maciej Ptak, Dagmara Stefańska
Adam Sieradzki (Wrocław/PL)
09.45 Oxygen defect formation and ionic transport in Nd2CuO4±δ as derived from
S10-4 first principles calculations
Bartłomiej Gędziorowski, Kacper Cichy, Konrad Świerczek (Kraków/PL)
10.00 Impact of crystal packing on the luminescence in crystalline forms
S10-5 of benzoyl-acetylide-gold(I) complexes
Anna Makal (Warsaw/PL), Damian Plazuk, Marta Głodek,
Sylwia Palwędzio (Łódź/PL)
10.15 New insights in the catalytic activity of cobalt orthophosphate Co3(PO4)2
S10-6 from charge density analysis
Dietmar Stalke (Göttingen/DE)
09.00–10.30 Organic molecules and coordination compounds II
Lecture hall 10D
Chairs Rafał Kruszyński (Łódź/PL), Christian Lehmann (Mülheim/DE)
09.00 Hybrid inorganic-organic materials based on complexes of benzoilthioureas
S11-1 and group 11 or 12 metal salts
Damian Rosiak, Andrzej Okuniewski, Jarosław Chojnacki (Gdańsk/PL)
19Scientific programme i Wednesday, 26 February
09.15 Frustration and frustrated crystal structures of the p-tert-butylcalix[6] arene host
S11-2 Maura Malińska (Warsaw/PL)
09.30 Single crystal X-ray and neutron diffraction experiments in the Identification
S11-3 of non‐innocent methylene linker in bridged Lewis pair initiators
Michael Weger, Raphael Grötsch, Maximilian Knaus, Marco Giuman
David Mayer, Philipp Altmann (München/DE), Estelle Mossou (Grenoble/DE)
Birger Dittrich (Düsseldorf/DE), Alexander Pöthig, Bernhard Rieger
(München/DE)
09.45 Combined spectroscopic and (photo)crystallographic studies of selected
S11-4 photo-excited multicentre coinage metal complexes
Piotr Łaski, Jakub Drapała, Krzysztof Durka, Radosław Kamiński
Katarzyna Jarzembska (Warsaw/PL)
10.00 Nitro – nitrito linkage isomerisation reaction in crystals of trinitrocobalt (III)
S11-5 organometallic complexes
Krystyna Deresz, Sylwia Kutniewska, Radosław Kamiński
Adam Krówczyński, Katarzyna Jarzembska (Warsaw/PL)
10.15 Controlled crystallization from deuterated solvents – notable insights on
S11-6 crystallization behavior of brucine-multicomponent systems
Agata Białońska (Wrocław/PL), Klaus Merz, Margarita Yanbaeva (Bochum/DE)
10.30–11.00 Meeting AK1 Biologische Strukturen
Lecture hall 10AC (Meeting of the DGK working group 1 Biological structures )
11.00–12.00 Plenary lecture
Lecture hall 10AC
Chair Susan Schorr (Berlin/DE)
Applied crystallography as a tool for a better understanding of fundamental
questions of high temperature corrosion phenomena
Christiane Stephan-Scherb (Berlin/DE)
12.30–13.00 Meeting AK6 Molekülverbindungen
Lecture hall 10D (Meeting of the DGK working group 6 molecular compound)
12.30–13.30 Industrial symposium Bruker AXS GmbH
Seminar room 115 see page 47
20Scientific programme i Wednesday, 26 February
13.30–14.30 Plenary lecture
Lecture hall 10AC
Chair Andrzej Grzechnik (Aachen/DE)
Pressure-induced physical and chemical transformations
Andrzej Katrusiak (Poznań/PL)
14.30–16.00 Inorganic crystal structures II
Lecture hall 10AC
Chairs Anna Gągor (Wrocław/PL), Thomas Doert (Dresden/DE)
14.30 Crystal symmetry aspects of materials with magnetic spin reorientation
S12-1 Radoslaw Przeniosło, Piotr Fabrykiewicz, Izabela Sosnowska (Warsaw/PL)
14.45 MnBi2Te4∙(Bi2Te3)m (m=0÷6) compounds as candidates for magnetic
S12-2 semiconductors with non-trivial topology – crystal structure and some
physical properties
Y.N. Aliyeva, P.A. Askerova, Imamaddin R. Amiraslanov
Nazim T. Mamedov (Baku/AZ)
15.00 Phase transition and magnetism in the synthetic mineral Fe3(PO3OH)4(H2O)4
S12-3 Matthias Gutmann (Chilton Didcot/GB), Maria Poienar (Timisoara/RO)
Lucian Pascut (Suceava/RO), Gavin Stenning (Chilton Didcot/GB)
Carsten Paulmann, Martin Tolkiehn (Hamburg/DE)
15.15 Nitridosilicatephosphates by high-pressure / high-temperature synthesis
S12-4 Wolfgang Schnick (Munich/DE), Oliver Oeckler (Leipzig/DE)
Lucien Eisenburger (Munich/DE)
15.30 Crystal phases of InSe-GaSe system
S12-5 Imamaddin R. Amiraslanov, Кemale А. Аzizova, Zakir Jahangirli,
Yegana R. Аliyeva, Y.N. Aliyeva, S.A. Nabieva (Baku/AZ)
15.45 Intercalation and structural study of layered GaInS3 crystals with
S12-6 aminopyridine and ethylenediamine
Aysel B. Ragimli, Imamaddin R. Amiraslanov, Yegana R. Аliyeva (Baku/AZ)
21Scientific programme i Wednesday, 26 February
14.30–16.00 Extreme/non-ambient conditions
Lecture hall 10B
Chairs Elena Bykova (Hamburg/DE), Andrzej Katrusiak (Poznań/PL)
14.30 To what extent is the molecular symmetry lowering related to
S13-1 poly(a)morphism in a SnI4 system?
Kazuhiro Fuchizaki (Matsuyama/JP)
14.50 Reactions under pressure – How to force the reaction?
S13-2 Szymon Sobczak, Andrzej Katrusiak (Poznań/PL)
15.10 Phase relations and stabilities of MgCO3
S13-3 Jannes Binck, Lkhamsuren Bayarjargal (Frankfurt am Main/DE)
Sergey Lobanov (Potsdam/DE), Wolfgang Morgenroth (Frankfurt am Main/DE)
Victor Milman (Cambridge/GB), Björn Winkler (Frankfurt am Main/DE)
15.25 Structural diversity, phase transition and pores activation of Cd(II)-metal-
S13-4 organic frameworks based on 4,4”-azopyridine and terephthalic acid
Aleksandra Półrolniczak, Szymon Sobczak, Andrzej Katrusiak (Poznań/PL)
15.40 Inducing metallophilic interactions in compressed crystals
S13-5 Michal Andrzejewski (Bern/CH), Stefano Racioppi (Göteborg/SE)
Piero Macchi (Milano/IT)
22Scientific programme i Wednesday, 26 February
14.30–16.00 Quantum crystallography
Lecture hall 10D
Chairs Krzysztof Woźniak (Warsaw/PL), Dietmar Stalke (Göttingen/DE)
14.30 Chemical bonding analysis based on routine X-ray diffraction experiments
S14-1 Florian Kleemiss (Bern/CH), Hikaru Yanai (Tokyo/JP)
Simon Grabowsky (Bern/CH)
14.45 Structure, the energetics of interactions, anharmonicity and reflection
S14-2 intensity cut-off effect – comparison of X-ray wavefunction refinement and
multipole refinement for 2-hydroxy-8-X-quinoline derivatives
(X = Cl, Br, I, S-Ph)
Magdalena Woińska, Monika Wanat, Przemyslaw Taciak
Tomasz Pawinski (Warsaw/PL), Wladek Minor (Charlottesville/US)
Krzysztof Wozniak (Warsaw/PL)
15.00 lamaGOET and the HAR-ELMO approach
S14-3 Lorraine Andrade Malaspina (Bremen/DE), Erna K. Wieduwilt
Alessandro Genoni (Metz/FR), Simon Grabowsky (Bern/CH)
15.15 Applications of HAR, TAAM and BODD methods for refinements against
S14-4 CuKα X-ray diffraction data
Monika Wanat, Maura Malińska (Warszawa/PL), Matthias Gutmann
(Didcot/GB), Richard I. Cooper (Oxford/GB), Krzysztof Woźniak (Warszawa/PL)
15.30 The quantum chemical modeling in organic crystals study
S14-5 Svitlana Shishkina, V. V. Dyakonenko, I. S. Konovalova, Ye.A. Vaksler
(Kharkiv/DE)
15.45 Data processing and Hirshfeld atom refinements for an organo-gold(I)
S14-6 compound
Sylwia Pawlędzio, Maura Malińska, Magdalena Woińska
Krzysztof Woźniak (Warsaw/PL)
16.00–17.30 Poster session II
Foyer see page 28
18.30–23.00 Social evening
Afrykarium in see page 42
the Wrocław Zoo
23Scientific programme i Thursday, 27 February
09.00–10.00 Plenary lecture
Lecture hall 10AC
Chair Andreas Magerl (Erlangen/DE)
Characterization of new materials with neutron diffraction
Maria Fernández-Díaz (Grenoble/FR)
10.00–11.00 Get together young crystallographers
Seminar room 115
11.00–12.30 Disordered materials and complex and aperiodic structures
Lecture hall 10AC
Chairs Wojciech Sławiński (Warsaw/PL), Martin Meven (Aachen/DE)
11.00 A disordered superspace approach to understand highly structured
S15-1 diffuse scattering
Reinhard Neder, Ella Schmidt (Erlangen/DE)
11.15 A method for the quantification of stacking faults in the structures of
S15-2 NCA- and NCM-precursors for battery materials
Sebastian Bette (Stuttgart/DE), Bernd Hinrichsen (Ludwigshafen/DE)
Robert E. Dinnebier (Stuttgart/DE)
11.30 RbSbO3 and (POCOP)CoBr – OD structures with two disorder modes
S15-3 Berthold Stöger (Wien/AT)
11.45 Enantiomeric disorder and modeling of X-ray diffuse scattering in copper(I)
S15-4 nitrate π‑complex
Dorota Kowalska, Vasyl Kinzhybalo (Wrocław/PL), Yurii I. Slyvka (Lviv/UA)
Marek Wołcyrz (Wrocław/PL)
12.00 Superspace structure of glycyl-L-valine
S15-5 Toms Rekis, Sander van Smaalen (Bayreuth/DE)
12.15 Multidimensional analysis vs. statistical method of diffraction and structure
S15-6 description of aperiodic systems
Janusz Wolny, Radosław Strzałka, Ireneusz Bugański
Joanna Śmietańska (Kraków/PL)
24Scientific programme i Thursday, 27 February
11.00–12.20 Spectroscopy
Lecture hall 10B
Chairs Wojciech Wolf (Łódź/PL)
11.00 Analysis of ferroelectric strontium titanate thin films with resonant
S16-1 X-ray diffraction
Melanie Nentwich (Freiberg/DE), Carsten Richter (Berlin/DE)
Matthias Zschornak (Freiberg, Dresden/DE), Tina Weigel (Freiberg/DE)
Dmitri Novikov (Hamburg/DE), Dirk C. Meyer (Freiberg/DE)
11.20 Characterization of dynamic thermal displacements of yttrium manganate
S16-2 Tina Weigel (Freiberg/DE), Carsten Richter (Berlin/DE), Melanie Nentwich
Matthias Zschornak, Dirk C. Meyer (Freiberg/DE)
11.40 Trivalent lanthanide and actinide incorporation into Zirconium(IV)
S16-3 oxide – spectroscopic investigations of defect fluorite structures
Manuel Eibl (Dresden/DE), Sam Shaw (Manchester/GB), Christoph Hennig
Damien Prieur (Dresden/DE), Katherine Morris (Manchester/GB)
Thorsten Stumpf, Nina Huittinen (Dresden/DE)
12.00 Curium incorporation in rhabdophane solid solutions (La1-xGdxPO4 ∙ 0.67H2O)
S16-4 Nina Huittinen, Andreas Scheinost (Dresden/DE), Yaqi Ji (Sichuan/CN)
Piotr Kowalski, Yulia Arinicheva, Stefan Neumeier (Jülich/DE)
11.00–12.30 Instrumentation
Lecture hall 10D
Chairs Damian Kucharczyk (Wrocław/PL), Alke Meents (Hamburg/DE)
11.00 X-ray and neutron single-crystal diffraction in diamond anvil cells
S17-1 Andrzej Grzechnik, Martin Meven (Aachen/DE), Karen Friese (Jülich/DE)
11.15 On the design of a dedicated electron diffractometer
S17-2 Eric Hovestreydt, Gustavo Santiso-Quinones, Gunther Steinfeld (Villigen/CH)
11.30 Two new diffractometers at BM20/ESRF for single crystal, powder and
S17-3 surface diffraction
Christoph Hennig (Dresden/DE, Grenoble/FR), Moritz Schmidt (Dresden/DE)
Atsushi Ikeda-Ohno (Dresden/DE, Tokai-mura/JP), Thomas Radoske
(Dresden/DE), Manuel Feig (Freiberg/DE), Stefan Findeisen, Jürgen Claussner
(Dresden/DE), Jörg Exner, Damien Naudet, Nils Baumann
Andreas Scheinost (Dresden/DE, Grenoble/FR)
25Scientific programme i Thursday, 27 February
11.45 The benefits of Cu-Kβ radiation
S17-4 Michael Bodensteiner, Tobias Mayr, Florian Meurer (Regensburg/DE)
12.00 IDEAL – What is it good for?
S17-5 Holger Ott (Karlsruhe/DE), Michael Ruf (Madison/US), Jens Lübben
Christian B. Hübschle (Karlsruhe/DE)
12.15 Aspherical scattering factors from multipolar model for X-ray and
S17-6 electron crystallography
Paulina Maria Dominiak, Michał Leszek Chodkiewicz, Barbara Gruza
Kunal Kumar Jha, Marta Kulik, Prashant Kumar, Paulina Rybicka (Warszawa/PL)
12.30–13.00 Closing and announcement of the next conference
Lecture hall 10AC
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an Open Access Journal by MDPI
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Editor-in-Chief Message from the Editor-in-Chief
Prof. Dr. Helmut Cölfen
Crystals are a very important class of structured material,
Editor-in-Chief Message from the Editor-in-Chief
Prof. Dr. Helmut Cölfen both from a scientific and technological viewpoint. In
Section Editor-in-Chief
Prof. Dr. Sławomir J. Grabowski 2011, theare
Crystals a very
Nobel important
Prize class ofwas
in Chemistry structured
awardedmaterial,
to Dan
Prof. Dr. Abel Moreno both from a for
Schechtman scientific
his work andontechnological
quasicrystals.viewpoint.
Our journalIn
Section Editor-in-Chief
Prof. Dr. Charles Rosenblatt
Prof. Dr. Sławomir J. Grabowski 2011, the Nobel Prize in Chemistry was awarded
already expresses in its name Crystals that its focus centers to Dan
Prof.
Prof. Dr.
Dr. Shujun Zhang Schechtman for hisof work
this on quasicrystals.
of materials,Our journal
Abel Moreno
Prof. Dr. Charles Rosenblatt around all aspects class which has
Prof. Dr. Shujun Zhang
already expresses in its name Crystals that its focus
fascinated humankind from its beginning. Despite decades centers
around all aspects
of research of this
on crystals, class of amaterials,
it remains which has
hot and fascinating
fascinated humankind from its beginning. Despite decades
research topic. Crystals is a good platform for dissemination
of research on crystals,
of knowledge in this area. it remains a hot and fascinating
research topic. Crystals is a good platform for dissemination
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4052 Basel ▶ www.mdpi.com/journal/crystals
www.mdpi.com Switzerland 27Poster presentations
There are two poster sessions. Posters with an even programme-ID will be presented in the
poster session on Tuesday and posters with an odd programme-ID will be presented in the
poster session on Wednesday.
Inorganic crystal structures
P1 Diboranes(4) – synthetic reagents with intriguing structures
Christian Kleeberg, Corinna Borner, Wiebke Drescher
Maximilian T. Wiecha (Braunschweig/DE)
P2 TAAM against electron diffraction data for ionic structures
Barbara Gruza, Michał Leszek Chodkiewicz, Paulina Maria Dominiak (Warsaw/PL)
P3 CaNa[Cr(OH)6] – synthesis, crystal structure, and magnetic properties
Ralf Albrecht, Jens Hunger, Thomas Doert, Michael Ruck (Dresden/DE)
P4 Two alkali-metal hexaselenidodiphosphates(IV) of dysprosium:
LiDy[P2Se6] and NaDy[P2Se6]
Beate Schulz, Melanie Kurz, Thomas Schleid (Stuttgart/DE)
P5 Single crystals of Nb5Se4 with Ti5Te4-type structure
Constantin Buyer, Thomas Schleid (Stuttgart/DE)
P6 Coordination properties of diethylenetriamine in relation to zinc
phthalocyanine
Jan Janczak (Wrocław/PL)
P7 Disorder in Ca3RE2(BO3)4 (RE = Nd, Gd) structure
Katarzyna M. Kosyl (Warsaw/PL, Grenoble/FR), Anna Gągor (Wrocław/PL)
Wojciech Paszkowicz (Warsaw/PL), Alexey N. Shekhovtsov
Miron B. Kosmyna (Kharkov/UA), Damian Trzybiński,
Krzysztof Woźniak (Warsaw/PL)
P8 Structure refinement for Ca10M0.5(VO4)7 M=Co, Cu
a powder X-ray diffraction study
Houri Sadat Rahimi Mosafer, Wojciech Paszkowicz,
Marek Berkowski (Warsaw/PL)
P9 Uncontrolled synthesis and crystal structure of La5O4Cl3[TeO3]2
Philip Russ, Stefan Greiner, Thomas Schleid (Stuttgart/DE)
P10 Nd1.333[P2Se6] – Neodymium(III) Hexaselenidodiphosphate(IV) with
cation-deficient NaYb[P2S6]-type crystal structure
Melanie Kurz, Beate Schulz, Thomas Schleid (Stuttgart/DE)
28Poster presentations
P11 Synthesis and crystal structure of Tl2[B10Cl10] ∙ 2 H2O
Kevin Bareiß, Thomas Schleid (Stuttgart/DE)
P12 The structure of Yttrium Hydride Telluride YHTe from single-crystal
X-ray diffraction data
Jean-Louis Hoslauer, Matthias Folchnandt, Thomas Schleid (Stuttgart/DE)
P13 Phase transitions in crystals of tertiary ammonium salts with ReO4- Ions
Monika Krawczyk (Wrocław/PL)
P14 HKLF5Tools – small helper in refinement of non-merohedral twins
Sergei Ivlev, Matthias Conrad, Florian Kraus (Marburg/DE)
P15 Lithium hypodiphosphates
Vasyl Kinzhybalo (Wrocław/PL)
P16 The crystal structure of trinuclear rhenium coordination compound
with Re3(O)(NO)6(pz)6]Cl·2CH3CN formula
Miłosz Siczek (Wrocław/PL)
Micro- and nanocrystalline materials
P17 Bionic method to enhance solar heat shielding ability of architextiles
Songmin Shang, Ka Lok Chiu, Yuxiang Wang (Hong Kong/HK)
P18 Crystallization and preparation peculiarities of nanocrystalline powders
based on metastable α′-tricalcium phosphate
Zoltan Zyman (Kharkiv/UA), Matthias Epple (Essen/DE), Dmytro Rokhmistrov
Anton Goncharenko (Kharkiv/UA), Oleg Prymak, Kateryna Loza (Essen/DE)
P19 The crystalline nature of zinc oxide nano- and microparticles with different
shape determined by X-ray powder diffraction
Oleg Prymak, Mateusz Olejnik, Matthias Epple (Essen/DE)
P20 Freezing of water droplets on glass surfaces with micro-scale
lattice-patterned grooves
Sho Yonezawa, Tomonori Waku, Yoshimichi Hagiwara (Kyoto/JP)
P21 Depth profiling of polycrystalline Cu(In,Ga)(Se,S)2 thin films with
asymmetric bragg diffraction
Johannes Dallmann, Matthias Schuster (Erlangen/DE)
Alfons Weber (München/DE), Peter Wellmann, Rainer Hock (Erlangen/DE)
29Poster presentations
P22 Numerical simulation of the freezing impinged water droplets on a cooling surface
Daichi Utsumi, Seia Fujii, Yoshimichi Hagiwara (Kyoto/JP)
P23 The sacrificial anode effect in a physical mixture of silver and platinum nanoparticles
Kateryna Loza (Essen/DE), Marina Breisch (Bochum/DE)
Alexander Rostek, Oliver Wetzel (Essen/DE), Marc Heggen (Jülich/DE)
Manfred Köller, Christina Sengstock (Bochum/DE), Matthias Epple (Essen/DE)
P24 How brachiopods generate a hybrid composite shell material by
cellular control of crystal growth of calcite – a bio-mineralogic SEM/TEM study
Erika Griesshaber (Munich/DE), Andreas Ziegler (Ulm/DE)
Maria del Mar Simonet Roda, Xiaofei Yin (Munich/DE), Ulrich Rupp
Paul Walther (Ulm/DE), Daniela Henkel (Kiel/DE), Antonio Checa (Granada/ES)
Vreni Häussermann (Puerto Montt/CL), Wolfgang Schmahl (Munich/DE)
P25 Improved algorithm to calculate the powder pair distribution function PDF
Reinhard Neder (Erlangen/DE)
P26 Characterizing phase generation and structural effects due to micronization
and amorphization of an active pharmaceutical ingredient for HIV treatment
Maxwell Terban (Stuttgart/DE), Luca Russo, Tran Pham (Stevenage/GB)
Dewey Barich, Yan Sun (Collegeville/US), Matthew Burke (King of Prussia/US)
Jeffrey Brum (Collegeville/US), Simon Billinge (New York, Upton/US)
P27 Depletion width formation in CIGS based photovoltaics at various thickness
and (In,Ga) concentration
Ahmad Rosikhin, Nikodemus U J Hauwali, Fatimah A Noor (Bandung/ID)
Amiruddin Supu (Kupang/ID), Toto Winata, Veinardi Suendo (Bandung/ID)
Annisa Aprilia, Ayi Bahtiar (Sumedang/ID)
P28 Synthesis of bimetallic Nickel nanoparticles as catalysts for the Sabatier reaction
Maria Heilmann, Ralf Bienert, Carsten Prinz, Franziska Emmerling (Berlin/DE)
P29 Observations of crystalline microstructure by exploring powder X-ray diffraction
patterns
Marek Kojdecki (Warszawa/PL), Pablo Pardo, José Miguel Calatayud
José María Amigó, Javier Alarcón (Valencia/ES)
P30 New perspectives of neutron diffraction at National Centre for Nuclear Research in Świerk
Andreas Hoser (Berlin/DE)
30Poster presentations
Solid state physics in crystallography
P31 Synthesis of elasto-plastic deformable ceramics by high pressure
Masatada Araki (Handa/JP)
P32 Primary crystal orientation of thin-walled area of single-crystalline turbine
blade airfoils
Jacek Krawczyk, Włodzimierz Bogdanowicz, Robert Paszkowski (Chorzów/PL)
P33 Crystal structure and pseudo-symmetry of the 3D-weak topological
insulator Bi12Rh3Cu2I5
Eduardo Carrillo, Rajyavardhan Ray, Manuel Richter, Michael Ruck (Dresden/DE)
P34 Multi-scale defect analysis in single-crystalline nickel-based superalloys
Robert Paszkowski, Jacek Krawczyk, Włodzimierz Bogdanowicz (Chorzów/PL)
P35 Solid-state characterization and solubility enhancement of BCS-class II drug-dasatinib
Mohamed Sheik Tharik Abdul Azeeze (The Nilgiris/IN)
Parimaladevi Palanisamy (Gandhi Nagar/IN)
Meyyanathan Subramania Nainar (The Nilgiris/IN)
Chinmay Ghoroi (Gandhi Nagar/IN)
P36 Temperature-dependent EXAFS measurements of the lead L3 edge allowing
quantification of the anharmonicity of chlorine-substituted
methylammonium (MA) lead triiodide
Götz Schuck, Daniel M. Többens, Dirk Wallacher, Nico Grimm, Susan Schorr (Berlin/DE)
Bio-Crystallography I – Signaling, macromolecular interactions and other new structures
P37 Structural and biochemical studies of human mitochondrial post-transcriptional
regulator FASTK
Daria Dawidziak, Mikołaj Kuska, Jan Kutner, Matthew Merski
Maria Górna, Krzysztof Woźniak (Warsaw/PL)
P38 Core facility for crystallographic and biophysical research to support
the development of medicinal products
Jan Kutner, Maria Górna, Maura Malińska, Monika Wanat, Daria Dawidziak
Katarzyna Polak, Mikolaj Kuska, Weronika Lidwin, Marlena Kisiala
Szymon Sutula, Krzysztof Woźniak (Warsaw/PL)
P39 Structure-based design of broad-spectrum antivirals targeting
coronaviruses and enteroviruses – peptidomimetic cyanohydrins
Linlin Zhang (Lübeck/DE), Daizong Lin (Changchun/CN), Stefan Anemüller
Yuri Kusov (Lübeck/DE), Katharina Rox (Braunschweig/DE)
Thilo Kähne (Magdeburg/DE), Guido Hansen, Rolf Hilgenfeld (Lübeck/DE)
31Poster presentations
P40 Calcite manipulation by animals – the acicular-foliated microstructure
of the limpets Cellana toreuma and tramoserica
(Nacellidae, Patellogastropoda, Mollusca)
Katarzyna Berent (Kraków/PL), Antonio G. Checa (Granada/ES)
P41 Structural investigations of the fluorescence phenomenon in
β-lactoglobulin complexes with hdaf
Paulina Wróbel, Joanna Loch, Piotr Bonarek, Krzysztof Lewiński (Kraków/PL)
P42 Structure of the c-di-AMP binding protein DarB
Jana Laura Heidemann, Larissa Krüger, Jörg Stülke, Ralf Ficner (Göttingen/DE)
P43 Allosteric modulation of cGAS/OAS innate immune sensors – a way to new therapies
Xiaoyi Zhou, Ole Zeymer, Petra Baruch, Christine Goffinet, Dietmar Manstein
Roman Fedorov (Hannover/DE)
P44 Cyclic tetrapeptides as promising scaffold for innovative therapeutic agents:
Synthesis, crystallographic, biological and in silico studies
Joanna Bojarska (Łódź/PL), Milan Remko (Bratislava/SK)
Jakub Wojciechowski (Neu-Isenburg/DE), Izabela Madura (Warszawa/PL)
Krzysztof Kaczmarek, Janusz Zabrocki (Łódź/PL), Michał Zimecki (Wrocław/PL)
Wojciech Wolf (Łódź/PL)
Structure-property-relationships
P45 Magneto-structural analysis in metal-organic coordination architectures
sustained by hydrogen bond – a CSD study
Kafeel Siddiqui (Raipur/IN)
P46 Fluorescence and DFT analysis in a two-dimensional ZnII coordination polymer
Wenwen Wei (Taiyuan/CN), Yanyan An (Taiyuan/CN, Aachen/DE)
Miaoli Zhu (Taiyuan/CN), Englert Ullrich (Aachen/DE)
P47 Overcoming challenges in the synthesis of the Cu2ZnGe(S1-xSex)4
solid solution – Development of a new synthesis route
Sara Niedenzu, Galina Gurieva, Susan Schorr (Berlin/DE)
P48 The determination of symmetry in Sr8MgEu1-xSmx(PO4)7 phosphates
Dina Deyneko, Sergey Aksenov (Moscow/RU)
32Poster presentations
P49 Europium incorporation into BaCa(CO3)2
Dominik Spahr, Lkhamsuren Bayarjargal (Frankfurt/DE)
Victor L. Vinograd (Jülich/DE), Björn Winkler (Frankfurt/DE)
P50 Investigating the morphology of nanostructured mixed metal oxides (Ir/TiOx)
and its impact on the electrocatalytic OER-activity
Julien Marquardt, Sascha Kiske, Michael Bernicke, H. M. Hamid Raza
Nicola Pinna, Ralph Kraehnert, Franziska Emmerling (Berlin/DE)
P51 The kesterite – stannite structural phase transition:
comparison of the Cu2(Zn,Fe)S4, Cu2(Zn,Cd)S4 and Cu2(Zn,Mn)SnSe4 series
Susan Schorr, Sara Niedenzu, Alexandra Franz, Galina Gurieva (Berlin/DE)
P52 The kinetics of the Norrish-Yang reaction in crystals – X-ray diffraction
and Raman spectroscopy studies
Krzysztof Konieczny, Anna Szczurek, Julia Bąkowicz
Ilona Turowska-Tyrk (Wrocław/PL)
P53 Application of violuric acid as a possible optical sensor for basic amino
acids detection – crystal structures and spectroscopic studies
Agnieszka Rydz, Marlena Gryl, Katarzyna Marta Stadnicka (Kraków/PL)
P54 Local structure, dynamics, and expansivity of α polyamide 6 through
the glass transition
Maxwell Terban (Upton/US), Sebastian Bette (Stuttgart/DE)
Bernd Hinrichsen, Philippe Desbois (Luwigshafen/DE), Martin Etter
Alexander Schökel (Hamburg/DE), Robert E. Dinnebier (Stuttgart/DE)
P55 Ex situ and in situ X-ray diffractometry as the applicable tool to determine
structural properties and cycling performance of P2-Na0.67MgyMn1-yO2
(y=0.1, 0.2, 0.3) cathodes for Na-ion batteries
Gabriela Ważny, Katarzyna Walczak, Andrzej Kulka, Janina Molenda (Kraków/PL)
P56 Stability of baclofen crystal forms related to ɤ-lactam impurity formation
Marek Główka, Waldemar Maniukiewicz (Łódź/PL)
P57 Operando XRD studies during electrochemical intercalation of
Na0.66Li0.22Ti0.78O2 – P2-type anode material for Na-ion batteries
Mikołaj Nowak, Wojciech Zając, Andrzej Kulka, Janina Molenda (Kraków/PL)
33Poster presentations
P58 How in house X-ray total scattering can help gain a deeper insight into solid-state
electrolytes
Anna-Lena Hansen, Charlotte Fritsch, Michael Knapp
Helmut Ehrenberg (Eggenstein-Leopoldshafen/DE)
P59 Structure and biological activity of selected amidrazone derivatives
Andrzej Olczak (Łódź/PL), Katarzyna Gobis (Gdańsk/PL)
Izabela Korona-Głowniak (Lublin/PL), Malwina Krause (Gdańsk/PL)
Ida Mazerant-Politowicz, Małgorzata Szczesio (Łódź/PL)
P60 Structure and antibacterial activity of selected hydrazide derivatives
Małgorzata Szczesio (Łódź/PL), Katarzyna Gobis (Gdańsk/PL)
Izabela Korona-Głowniak (Lublin/PL), Dagmara Zięmbicka (Gdańsk/PL)
Andrzej Olczak (Łódź/PL)
P61 Influence of nitro substituent in phenylpiperazine derivatives of
3-methyl-5-spiro(fluorene)hydantoin on the crystal and molecular structures
Ewa Zeslawska, Wojciech Nitek, Jadwiga Handzlik (Kraków/PL)
P62 Effect of Sc3+ and Al3+ Ion doping on magnetic properties of Nd-stabilized
SrM-Hexaferrite nanostructures
Andrzej Hilczer (Poznań/PL), Katarzyna Pasińska, Adam Pietraszko (Wrocław/PL)
Bartłomiej Andrzejewski (Poznań/PL)
in situ/in operando studies
P63 Investigation of soluto-capillary convection in GexSi1-x melts
Jan Philipp Wöhrle, Thomas Jauß, Tina Sorgenfrei (Freiburg i. Br./DE)
P64 Real-time in-situ synchrotron study of simvastatin crystallization
on levitated droplets
Yen Ramisch, Maria Heilmann (Berlin/DE), Carlos E. S. Bernardes
Manuel E. Minas da Piedade (Lisbon/PT), Franziska Emmerling (Berlin/DE)
P65 Determination of proton transfer trajectory in proton conductors by
in situ X-ray powder diffraction measurement.
Jiří Plocek (Řež/CZ), David Havlíček (Prague/CZ)
P66 In situ synchrotron powder diffraction-investigation of the mechanochemical
synthesis and phase transition of ZnS
Hilke Petersen, Pit Losch, Steffen Reichle, Tobias Rathmann (Mülheim/DE)
Jochi Tseng (Shenzhen/CN), Wolfgang Schmidt (Mülheim/DE)
Martin Etter (Hamburg/DE), Claudia Weidenthaler (Mülheim/DE)
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