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JOINT POLISH-GERMAN CRYSTALLOGRAPHIC MEETING 2020 JPGCM-2020 24–27 FEBRUARY 2020 WrocłaW/Poland www.dgk-conference.de © promesaartstudio l Fotolia.com PROGRAMME Polish Crystallographic Association

Polish Crystallographic Association€¦ · 15.42 New perspectives of neutron diffraction at National Centre for Nuclear S03-5 Research Świerk (for Polish and German crystallographic

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Page 1: Polish Crystallographic Association€¦ · 15.42 New perspectives of neutron diffraction at National Centre for Nuclear S03-5 Research Świerk (for Polish and German crystallographic

Joint Polish-German CrystalloGraPhiC meetinG 2020

JPGCm-2020

24–27 february 2020WrocłaW/Polandwww.dgk-conference.de

© p

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ProGramme

Polish CrystallographicAssociation

Page 2: Polish Crystallographic Association€¦ · 15.42 New perspectives of neutron diffraction at National Centre for Nuclear S03-5 Research Świerk (for Polish and German crystallographic

General InformatIon

2

Crystal lographyInnovation with Integrity

www.bruker.com/scd

The Whole is Truly Greater Than the Sum of the Parts – Our Best Solutions for Your Best Research.

DGK 2020.indd 1 14.01.2020 13:29:50

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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 layoutLayout krea.tif-art UG (haftungsbeschränkt)Print PrintworldCirculation 400Editorial Deadline 4 February 2020

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orGanIsatIon

VenueCongress Center Wrocław University of Science and Technology

Conference websitewww.dgk-conference.de

OrganiserPolish 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 MadryasCo-organisers: Faculty of Chemistry University of Warsaw, Łódź University of Technology, Committee for Crystallography Polish Academy of Sciences

Conference chairsProf. Dr. hab. inż. Marek GłówkaŁódź University of Technology (Łódź/PL)

Prof. Dr. hab. Marek WołcyrzInstitute of Low Temperature and Structure Research, Polish Academy of Sciences (Wrocław/PL)

Prof. Dr. Susan SchorrHelmholtz-Zentrum Berlin (Berlin/DE)

Prof. Dr. Udo HeinemannMax-Delbrück-Center for Molecular Medicine (Berlin/DE)

International programme committee

Professional congress organiserConventus Congressmanagement & Marketing GmbHAnja HannawaldPhone +49 3641 31 [email protected]

Robert Dinnebier (Stuttgart/DE)Thomas Doert (Dresden/DE)Claudia Weidenthaler (Mülheim an der Ruhr/DE)Philipp Wöhrle (Freiburg i. Br./DE)

Matthias Bochtler (Warsaw/PL)Mariusz Jaskólski (Poznań/PL)Ilona Turowska-Tyrk (Wrocław/PL)Krzysztof Woźniak (Warsaw/PL)

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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 GłówkaConference co-chairs

Matthias Bochtler (Warsaw/PL)Mariusz Jaskólski (Poznań/PL)Ilona Turowska-Tyrk (Wrocław/PL)Krzysztof Woźniak (Warsaw/PL)

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ProGramme overvIeW

09.00–12.30

p. 11  p. 12 

11.00–12.00

12.00–13.30 12.00–13.00

13.00–13.30Opening13.30–14.30 13.30–14.30

14.30–15.30

p. 9 

16.30–17.00

p. 14 

17.00–18.00

 

p. 42 

Poster session I(even ID's)

15.30–17.00Lightning talks of young crystal‐lographers

Plenary talkRolf Hilgenfeld

Structure‐property‐relation‐ ships I

Plenary talkBen Luisi

DGK general assembly

Lecture hall 10D

09.00–10.30

PCA general assembly

Monday, 24 February Tuesday, 25 FebruaryLecture hall 

10ACLecture hall 

10BLecture hall 

10DSeminar room 115

Lecture hall 10AC

Lecture hall 10B

Seminar room 115

Bio‐Crystal‐lography I 

in situ /in operando studies

Plenary talk Lukasz Palatinus

Laue talk 

DGK board meeting

Inorganic crystal structures I

Rigaku Europe SE

14.30–16.00Solid state physics in crystal‐lography

Micro‐ and nano‐crystalline materials

17.00–18.30

Bio‐Crystal‐lography II: Enzymes

p. 28 DGK Honours session

Welcome reception

Organic molecules and coordination compounds I

18.00–20.00

p. 8 

p. 13

p. 12

p. 47

p. 15

p. 10p. 8 

p. 10

p. 13

p. 15

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ProGramme overvIeW

09.00–10.00

10.00–11.00

p. 19  p. 19 Meeting AK1

11.00–12.00

12.00–12.30

Meeting AK6

12.30–13.30 p. 25  p. 25 12.30–13.00Closing

13.30–14.30

p. 22 

Plenary talk Christiane Stephan‐Scherb

Plenary talkAndrzej Katrusiak 

Poster session II(odd ID's)

14.30–16.00

Social programme

SessionsPoster session

Plenary talkMeetingsIndustrial symposium

Lecture hall 10D

Seminar room  115

Wednesday, 26 FebruaryLecture hall 

10AC

Thursday, 27 FebruaryLecture hall 

10B

Structure‐property‐relation‐ships II

Lecture hall 10D

Bruker AXS GmbH

09.00–10.30Plenary talkMaria Fernández‐Díaz 

Lecture hall 10AC

Lecture hall 10B

16.00–17.30

Seminar room 115

Organic Molecules and coordination compounds II

Get together young crystallo‐graphers

Instrumen‐tation

Spec‐troscopy

Disordered Materials and Complex and aperiodic structures

11.00–12.30

Bio‐Crystal‐lography III: Instrumen‐tation & hybrid methods

Extreme/ non‐ambient conditions

p. 28 

18.30–23.00

Inorganic crystal structures II

Quantum crystal‐lography

Social evening at Wrocław Zoo

p. 21 p. 23

p. 18

p. 43

p. 42

p. 20 

p. 47

p. 21

p. 24

p. 24

p. 26

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scIentIfIc ProGramme I monday, 24 february

09.00–12.30 DGK Board meeting

13.00–13.30 OpeningLecture hall 10AC

13.30–14.30 Plenary lectureLecture 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 ILecture hall 10AC

Chairs Anna Gągor (Wrocław/PL), Thomas Doert (Dresden/DE)

14.30 Fundamental bonding concepts of inorganic chemistry revisitedS01-1 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 B314.6H9S01-3 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 saltsS01-5 Daniel Günther, Christoph Kalischer, Oliver Oeckler (Leipzig/DE)

15.45 Crystallographic studies on fossilized elephant teethS01-6 Nataniel Białas, Oleg Prymak (Essen/DE), Ningthoujam Premjit Singh Rajeev Patnaik (Chandigarh/IN), Kateryna Loza, Matthias Epple (Essen/DE)

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scIentIfIc ProGramme I monday, 24 february

14.30–16.00 Micro- and nanocrystalline materialsLecture hall 10B

Chairs Ute Kolb (Mainz/DE), Zbigniew Kaszkur (Warsaw/PL)

14.30 Structure and morphology of MoNi4/MoO2@Ni electrocatalytic systems forS02-1 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 inS02-2 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-PtS02-4 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 byS02-6 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)

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scIentIfIc ProGramme I monday, 24 february

14.30–16.00 Solid state physics in crystallographyLecture hall 10D

Chairs Radosław Przeniosło (Warsaw/PL), Jürgen Schreuer (Bochum/DE)

14.30 Random structure search – solving the kesterite-stannite puzzle inS03-1 (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-MnO2S03-4 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 AwardLecture 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 receptionFoyer see page 42

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scIentIfIc ProGramme I tuesday, 25 february

09.00–10.30 Bio-Crystallography I – Signalling, macromolecular interactions and other Lecture hall 10AC new structuresChairs Grzegorz Bujacz (Łódź/PL), Roman Fedorov (Hanover/DE)

09.00 Structural and functional principles of a novel family of nucleic acid helicasesS04-2 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 forS04-3 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 indicationS04-6 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)

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scIentIfIc ProGramme I tuesday, 25 february

09.00–10.30 Structure-property-relationships ILecture hall 10B

Chairs Agata Białońska (Wrocław/PL), Dietmar Stalke (Göttingen/DE)

09.00 MIDAS - Mapping the irregularity of distribution of atoms in spaceS05-1 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 inS05-3 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 perovskitesS05-4 Joachim Breternitz, Susan Schorr (Berlin/DE)

10.00 Raman Spectroscopy – a quantitative method for analyzing stress states inS05-5 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 piezoelectricS05-6 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 studiesLecture hall 10D

Chairs Michał Cyrański (Warsaw/PL), Robert Dinnebier (Stuttgart/DE)

09.00 In operando diffraction radiography and tomography on Li-Ion batteriesS06-1 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 neutronS06-2 scattering Raphael Finger, Holger Kohlmann (Leipzig/DE)

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scIentIfIc ProGramme I tuesday, 25 february

09.30 Remarkable anisotropic thermal expansion in coordination compoundsS06-3 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 controlledS06-5 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 materialsS06-6 for Na-ion batteries. Andrzej Kulka, Katarzyna Walczak, Anna Plewa, Justyna Płotek (Kraków/PL)

11.00–12.00 Plenary lectureLecture hall 10AC

Chair Krzysztof Woźniak (Warsaw/PL)

Machines of riboregulation and transport ben luisi (cambridge/Gb)

12.00–13.30 DGK General assemblyLecture hall 10AC

12.00–13.00 PCA General assemblyLecture hall 10B

13.30–14.30 Plenary lectureLecture hall 10AC

Chair Marek Wołcyrz (Wrocław/PL)

Structure analysis by electron diffraction – current status and prospects LukaszPalatinus(Prague/CZ)

14.30–15.30 Industrial symposium Rigaku Europe SESeminar room 115 see page 47

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15.30–17.00 Bio-Crystallography II – EnzymesLecture hall 10AC

Chairs Krzysztof Lewiński (Kraków/PL), Gert Weber (Berlin/DE)

15.30 Crystal structure and biochemical characterization of the plastic-degradingS07-1 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 deoxyhypusineS07-2 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 familyS07-4 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 variantsS07-5 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)

scIentIfIc ProGramme I tuesday, 25 february

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15.30–17.00 Organic molecules and coordination compounds ILecture hall 10B

Chairs Rafał Kruszyński (Łódź/PL), Christian Lehmann (Mülheim/DE)

15.30 Ab initio structure prediction of metal-organic frameworksS08-1 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 crystalS08-2 structures Sebastian Bette, Michael, M. X. Müller, Gerhard Eggert, Thomas Schleid Robert E. Dinnebier (Stuttgart/DE)

16.00 Giant supramolecules meet synchrotron radiation – Experience withS08-3 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 theS08-4 intermolecular interactions Detlef W. M. Hofmann (Pula/IT), Liudmila Kuleshova (Uttenreuth/DE)

16.30 Synchrotron-based structural studies of coordination compounds withS08-5 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 complexesS08-6 in the crystal state Patryk Borowski, Sylwia Kutniewska, Radosław Kamiński Katarzyna Jarzembska (Warsaw/PL)

15.30–17.05 Lightning talks of young crystallographersLecture hall 10D

Chairs Jan Philipp Wöhrle (Freiburg i. Br./DE), Linda Kerkhoff (Cologne/DE)

15.30 Dicarboxylic acids – versatile ligands for metal-organic synthesisLT-1 Marius Kremer, Ulli Englert (Aachen/DE)

scIentIfIc ProGramme I tuesday, 25 february

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scIentIfIc 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 bacteriaLT-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-acetylpyreneLT-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 andLT-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)

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scIentIfIc ProGramme I tuesday, 25 february

16.20 Allogon isomerism in a series of high spin Fe(II) complexesLT-11 Beatrice Braun Cula (Berlin/DE)

16.25 Structural and macroscopic investigation of CrAs at low temperaturesLT-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 polyaminesLT-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-shapedLT-14 hierarchical porous particles Piotr Woźniak, Małgorzata A. Małecka (Wrocław/PL)

16.40 A study of transport properties at the single-crystal based charge transferLT-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 systemsLT-16 containing aromatic N-Heterocyclic rings Tomasz Sierański (Łódź/PL)

16.50 Crystal structures and phase transitions of imidazolium hypodiphosphatesLT-17 Daria Budzikur, Vasyl Kinzhybalo, Katarzyna Ślepokura (Wrocław/PL)

16.55 Benzonitrile substituted 1,3-Diketones as linkers for heterobimetallic MOFsLT-18 Ulli Englert, Steven van Terwingen (Aachen/DE)

17.00 Non-linear optical properties and topology of hydrogen bonding patternsLT-19 of (S)-2-amino-3-guanidinopropanoic acid monochloride Piotr Rejnhardt, Marek Daszkiewicz, Jan K. Zaręba (Wrocław/PL)

17.00–18.30 Poster session IFoyer see page 28

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scIentIfIc ProGramme I Wednesday, 26 february

09.00–10.30 Bio-Crystallography III – Instrumentation & hybrid methodsLecture 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 SynchrotronS09-2 Christoph Müller-Dieckmann (Grenoble/FR)

09.30 Biocrystallography at beamline P11S09-3 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 crystallographyS09-4 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 containersS09-6 and plasmonic nanoparticles Marcel Lach, Tobias Beck (Hamburg/DE)

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scIentIfIc ProGramme I Wednesday, 26 february

09.00–10.30 Structure-property-relationships IILecture hall 10B

Chairs Agata Białońska (Wrocław/PL), Dietmar Stalke (Göttingen/DE)

09.00 Structure-property relationships in a reinforced calcium phosphate cementS10-1 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 caseS10-2 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 perovskitesS10-3 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 formsS10-5 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)2S10-6 from charge density analysis Dietmar Stalke (Göttingen/DE)

09.00–10.30 Organic molecules and coordination compounds IILecture hall 10D

Chairs Rafał Kruszyński (Łódź/PL), Christian Lehmann (Mülheim/DE)

09.00 Hybrid inorganic-organic materials based on complexes of benzoilthioureasS11-1 and group 11 or 12 metal salts Damian Rosiak, Andrzej Okuniewski, Jarosław Chojnacki (Gdańsk/PL)

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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 IdentificationS11-3 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 selectedS11-4 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 onS11-6 crystallization behavior of brucine-multicomponent systems Agata Białońska (Wrocław/PL), Klaus Merz, Margarita Yanbaeva (Bochum/DE)

10.30–11.00 Meeting AK1 Biologische StrukturenLecture hall 10AC (Meeting of the DGK working group 1 Biological structures )

11.00–12.00 Plenary lectureLecture hall 10AC

Chair Susan Schorr (Berlin/DE)

Applied crystallography as a tool for a better understanding of fundamental questions of high temperature corrosion phenomena ChristianeStephan-Scherb(Berlin/DE)

12.30–13.00 Meeting AK6 MolekülverbindungenLecture hall 10D (Meeting of the DGK working group 6 molecular compound)

12.30–13.30 Industrial symposium Bruker AXS GmbHSeminar room 115 see page 47

scIentIfIc ProGramme I Wednesday, 26 february

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13.30–14.30 Plenary lectureLecture hall 10AC

Chair Andrzej Grzechnik (Aachen/DE)

Pressure-induced physical and chemical transformations AndrzejKatrusiak(Poznań/PL)

14.30–16.00 Inorganic crystal structures IILecture hall 10AC

Chairs Anna Gągor (Wrocław/PL), Thomas Doert (Dresden/DE)

14.30 Crystal symmetry aspects of materials with magnetic spin reorientationS12-1 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)4S12-3 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 synthesisS12-4 Wolfgang Schnick (Munich/DE), Oliver Oeckler (Leipzig/DE) Lucien Eisenburger (Munich/DE)

15.30 Crystal phases of InSe-GaSe systemS12-5 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 withS12-6 aminopyridine and ethylenediamine Aysel B. Ragimli, Imamaddin R. Amiraslanov, Yegana R. Аliyeva (Baku/AZ)

scIentIfIc ProGramme I Wednesday, 26 february

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14.30–16.00 Extreme/non-ambient conditionsLecture hall 10B

Chairs Elena Bykova (Hamburg/DE), Andrzej Katrusiak (Poznań/PL)

14.30 To what extent is the molecular symmetry lowering related toS13-1 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 MgCO3S13-3 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 crystalsS13-5 Michal Andrzejewski (Bern/CH), Stefano Racioppi (Göteborg/SE) Piero Macchi (Milano/IT)

scIentIfIc ProGramme I Wednesday, 26 february

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14.30–16.00 Quantum crystallographyLecture hall 10D

Chairs Krzysztof Woźniak (Warsaw/PL), Dietmar Stalke (Göttingen/DE)

14.30 Chemical bonding analysis based on routine X-ray diffraction experimentsS14-1 Florian Kleemiss (Bern/CH), Hikaru Yanai (Tokyo/JP) Simon Grabowsky (Bern/CH)

14.45 Structure, the energetics of interactions, anharmonicity and reflectionS14-2 intensity cut-off effect – comparison of X-ray wavefunction refinement and multipole refinement for 2-hy droxy-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 approachS14-3 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 againstS14-4 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 studyS14-5 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 IIFoyer see page 28

18.30–23.00 Social eveningAfrykarium in see page 42the Wrocław Zoo

scIentIfIc ProGramme I Wednesday, 26 february

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scIentIfIc ProGramme I tHursday, 27 february

09.00–10.00 Plenary lectureLecture hall 10AC

Chair Andreas Magerl (Erlangen/DE)

Characterization of new materials with neutron diffraction MariaFernández-Díaz(Grenoble/FR)

10.00–11.00 Get together young crystallographersSeminar room 115

11.00–12.30 Disordered materials and complex and aperiodic structuresLecture 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 modesS15-3 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-valineS15-5 Toms Rekis, Sander van Smaalen (Bayreuth/DE)

12.15 Multidimensional analysis vs. statistical method of diffraction and structureS15-6 description of aperiodic systems Janusz Wolny, Radosław Strzałka, Ireneusz Bugański Joanna Śmietańska (Kraków/PL)

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scIentIfIc ProGramme I tHursday, 27 february

11.00–12.20 SpectroscopyLecture 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 manganateS16-2 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 InstrumentationLecture hall 10D

Chairs Damian Kucharczyk (Wrocław/PL), Alke Meents (Hamburg/DE)

11.00 X-ray and neutron single-crystal diffraction in diamond anvil cellsS17-1 Andrzej Grzechnik, Martin Meven (Aachen/DE), Karen Friese (Jülich/DE)

11.15 On the design of a dedicated electron diffractometerS17-2 Eric Hovestreydt, Gustavo Santiso-Quinones, Gunther Steinfeld (Villigen/CH)

11.30 Two new diffractometers at BM20/ESRF for single crystal, powder andS17-3 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)

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scIentIfIc ProGramme I tHursday, 27 february

11.45 The benefits of Cu-Kβ radiationS17-4 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 andS17-6 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 conferenceLecture hall 10AC

Author Benefits

Editorial OfficeCrystals Editorial [email protected], St. Alban-Anlage 664052 Basel, SwitzerlandTel: +41 61 683 77 34Fax: +41 61 302 89 18www.mdpi.com mdpi.com/journal/crystals

Message from the Editor-in-ChiefCrystals are a very important class of structured material, both from a scientific and technological viewpoint. In 2011, the Nobel Prize in Chemistry was awarded to Dan Schechtman for his work on quasicrystals. Our journal already expresses in its name Crystals that its focus centers around all aspects of this class of materials, which has fascinated humankind from its beginning. Despite decades of research on crystals, it remains a hot and fascinating research topic. Crystals is a good platform for dissemination of knowledge in this area.

Open Access Unlimited and free access for readers

No Copyright Constraints Retain copyright of your work and free use of your articleImpact Factor 2.144 (2017 Journal Citation Reports®); 5-Year Impact Factor: 1.928 (2017)

Thorough Peer-Review

Rapid Publication 33 days from submission to publication (median values for papers published in 2018)

Coverage by Leading Indexing Services SCIE-Science Citation Index Expanded (Clarivate Analytics, formerly Thomson Reuters), Scopus (Elsevier)

No Space Constraints, No Extra Space or Color Charges No restriction on the length of the papers, number of figures or colorsDiscounts on Article Processing Charges (APC) If you belong to an institute that participates with the MDPI Institutional Open Access Program

Editor-in-ChiefProf. Dr. Helmut Cölfen

Section Editor-in-ChiefProf. Dr. Sławomir J. GrabowskiProf. Dr. Abel MorenoProf. Dr. Charles RosenblattProf. Dr. Shujun Zhang

Aims and ScopeCrystals (ISSN 2073-4352) is an open access journal that covers all aspects of crystalline material research. Crystals provides a forum for the advancement of our understanding of the nucleation, growth, processing, and characterization of crystalline and liquid crystalline materials. Their mechanical, chemical, electronic, magnetic, and optical properties, and their diverse applications, are all considered to be of importance. Additionally, we encourage contributors to send articles focused on crystals research (of small and high molecular weight). Their characterization by using modern techniques for crystal growth and high resolution characterization such as synchrotron radiation and modern methods for the growth of crystals for X-ray free electron lasers (XFELS) would also be welcome.

The journal publishes reviews, regular research articles, and short communications.

The scope of Crystals includes:

All classes of crystalline materials, either in bulk or as thin films

Crystal growth techniques

Characterization techniques

Fundamental research into solid-state physics and chemistry; crystalline surfaces and structure

IMPACT FACTOR2.144

an Open Access Journal by MDPI

Tel: +41 61 683 77 34Fax: +41 61 302 89 18 [email protected] ▶ www.mdpi.com/journal/crystals

www.mdpi.com

Crystals Editorial O­ iceMDPISt. Alban-Anlage 664052 BaselSwitzerland

Author Benefits

Editorial OfficeCrystals Editorial [email protected], St. Alban-Anlage 664052 Basel, SwitzerlandTel: +41 61 683 77 34Fax: +41 61 302 89 18www.mdpi.com mdpi.com/journal/crystals

Message from the Editor-in-ChiefCrystals are a very important class of structured material, both from a scientific and technological viewpoint. In 2011, the Nobel Prize in Chemistry was awarded to Dan Schechtman for his work on quasicrystals. Our journal already expresses in its name Crystals that its focus centers around all aspects of this class of materials, which has fascinated humankind from its beginning. Despite decades of research on crystals, it remains a hot and fascinating research topic. Crystals is a good platform for dissemination of knowledge in this area.

Open Access Unlimited and free access for readers

No Copyright Constraints Retain copyright of your work and free use of your articleImpact Factor 2.144 (2017 Journal Citation Reports®); 5-Year Impact Factor: 1.928 (2017)

Thorough Peer-Review

Rapid Publication 33 days from submission to publication (median values for papers published in 2018)

Coverage by Leading Indexing Services SCIE-Science Citation Index Expanded (Clarivate Analytics, formerly Thomson Reuters), Scopus (Elsevier)

No Space Constraints, No Extra Space or Color Charges No restriction on the length of the papers, number of figures or colorsDiscounts on Article Processing Charges (APC) If you belong to an institute that participates with the MDPI Institutional Open Access Program

Editor-in-ChiefProf. Dr. Helmut Cölfen

Section Editor-in-ChiefProf. Dr. Sławomir J. GrabowskiProf. Dr. Abel MorenoProf. Dr. Charles RosenblattProf. Dr. Shujun Zhang

Aims and ScopeCrystals (ISSN 2073-4352) is an open access journal that covers all aspects of crystalline material research. Crystals provides a forum for the advancement of our understanding of the nucleation, growth, processing, and characterization of crystalline and liquid crystalline materials. Their mechanical, chemical, electronic, magnetic, and optical properties, and their diverse applications, are all considered to be of importance. Additionally, we encourage contributors to send articles focused on crystals research (of small and high molecular weight). Their characterization by using modern techniques for crystal growth and high resolution characterization such as synchrotron radiation and modern methods for the growth of crystals for X-ray free electron lasers (XFELS) would also be welcome.

The journal publishes reviews, regular research articles, and short communications.

The scope of Crystals includes:

All classes of crystalline materials, either in bulk or as thin films

Crystal growth techniques

Characterization techniques

Fundamental research into solid-state physics and chemistry; crystalline surfaces and structure

IMPACT FACTOR2.144

an Open Access Journal by MDPI

www.conventus.de

“Home sweet home” your conference!

As a full-service PCO, we provide you with intelligent and innovative solutions in an advisory and implementing manner.

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Author Benefits

Editorial OfficeCrystals Editorial [email protected], St. Alban-Anlage 664052 Basel, SwitzerlandTel: +41 61 683 77 34Fax: +41 61 302 89 18www.mdpi.com mdpi.com/journal/crystals

Message from the Editor-in-ChiefCrystals are a very important class of structured material, both from a scientific and technological viewpoint. In 2011, the Nobel Prize in Chemistry was awarded to Dan Schechtman for his work on quasicrystals. Our journal already expresses in its name Crystals that its focus centers around all aspects of this class of materials, which has fascinated humankind from its beginning. Despite decades of research on crystals, it remains a hot and fascinating research topic. Crystals is a good platform for dissemination of knowledge in this area.

Open Access Unlimited and free access for readers

No Copyright Constraints Retain copyright of your work and free use of your articleImpact Factor 2.144 (2017 Journal Citation Reports®); 5-Year Impact Factor: 1.928 (2017)

Thorough Peer-Review

Rapid Publication 33 days from submission to publication (median values for papers published in 2018)

Coverage by Leading Indexing Services SCIE-Science Citation Index Expanded (Clarivate Analytics, formerly Thomson Reuters), Scopus (Elsevier)

No Space Constraints, No Extra Space or Color Charges No restriction on the length of the papers, number of figures or colorsDiscounts on Article Processing Charges (APC) If you belong to an institute that participates with the MDPI Institutional Open Access Program

Editor-in-ChiefProf. Dr. Helmut Cölfen

Section Editor-in-ChiefProf. Dr. Sławomir J. GrabowskiProf. Dr. Abel MorenoProf. Dr. Charles RosenblattProf. Dr. Shujun Zhang

Aims and ScopeCrystals (ISSN 2073-4352) is an open access journal that covers all aspects of crystalline material research. Crystals provides a forum for the advancement of our understanding of the nucleation, growth, processing, and characterization of crystalline and liquid crystalline materials. Their mechanical, chemical, electronic, magnetic, and optical properties, and their diverse applications, are all considered to be of importance. Additionally, we encourage contributors to send articles focused on crystals research (of small and high molecular weight). Their characterization by using modern techniques for crystal growth and high resolution characterization such as synchrotron radiation and modern methods for the growth of crystals for X-ray free electron lasers (XFELS) would also be welcome.

The journal publishes reviews, regular research articles, and short communications.

The scope of Crystals includes:

All classes of crystalline materials, either in bulk or as thin films

Crystal growth techniques

Characterization techniques

Fundamental research into solid-state physics and chemistry; crystalline surfaces and structure

IMPACT FACTOR2.144

an Open Access Journal by MDPI

Tel: +41 61 683 77 34Fax: +41 61 302 89 18 [email protected] ▶ www.mdpi.com/journal/crystals

www.mdpi.com

Crystals Editorial O­ iceMDPISt. Alban-Anlage 664052 BaselSwitzerland

Author Benefits

Editorial OfficeCrystals Editorial [email protected], St. Alban-Anlage 664052 Basel, SwitzerlandTel: +41 61 683 77 34Fax: +41 61 302 89 18www.mdpi.com mdpi.com/journal/crystals

Message from the Editor-in-ChiefCrystals are a very important class of structured material, both from a scientific and technological viewpoint. In 2011, the Nobel Prize in Chemistry was awarded to Dan Schechtman for his work on quasicrystals. Our journal already expresses in its name Crystals that its focus centers around all aspects of this class of materials, which has fascinated humankind from its beginning. Despite decades of research on crystals, it remains a hot and fascinating research topic. Crystals is a good platform for dissemination of knowledge in this area.

Open Access Unlimited and free access for readers

No Copyright Constraints Retain copyright of your work and free use of your articleImpact Factor 2.144 (2017 Journal Citation Reports®); 5-Year Impact Factor: 1.928 (2017)

Thorough Peer-Review

Rapid Publication 33 days from submission to publication (median values for papers published in 2018)

Coverage by Leading Indexing Services SCIE-Science Citation Index Expanded (Clarivate Analytics, formerly Thomson Reuters), Scopus (Elsevier)

No Space Constraints, No Extra Space or Color Charges No restriction on the length of the papers, number of figures or colorsDiscounts on Article Processing Charges (APC) If you belong to an institute that participates with the MDPI Institutional Open Access Program

Editor-in-ChiefProf. Dr. Helmut Cölfen

Section Editor-in-ChiefProf. Dr. Sławomir J. GrabowskiProf. Dr. Abel MorenoProf. Dr. Charles RosenblattProf. Dr. Shujun Zhang

Aims and ScopeCrystals (ISSN 2073-4352) is an open access journal that covers all aspects of crystalline material research. Crystals provides a forum for the advancement of our understanding of the nucleation, growth, processing, and characterization of crystalline and liquid crystalline materials. Their mechanical, chemical, electronic, magnetic, and optical properties, and their diverse applications, are all considered to be of importance. Additionally, we encourage contributors to send articles focused on crystals research (of small and high molecular weight). Their characterization by using modern techniques for crystal growth and high resolution characterization such as synchrotron radiation and modern methods for the growth of crystals for X-ray free electron lasers (XFELS) would also be welcome.

The journal publishes reviews, regular research articles, and short communications.

The scope of Crystals includes:

All classes of crystalline materials, either in bulk or as thin films

Crystal growth techniques

Characterization techniques

Fundamental research into solid-state physics and chemistry; crystalline surfaces and structure

IMPACT FACTOR2.144

an Open Access Journal by MDPI

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Poster 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 structuresP1 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)

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Poster 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 materialsP17 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)

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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)

Poster PresentatIons

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Solid state physics in crystallographyP31 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 structuresP37 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)

Poster PresentatIons

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Poster 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-relationshipsP45 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)

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Poster 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)

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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 studiesP63 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)

Poster PresentatIons

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P67 On the oxidation behavior of hexagonal Y0.95Pr0.05MnO3+δ – application of in situ X-ray diffractometry in determination of oxygen incorporation mechanism Kacper Cichy, Katarzyna Jarosz, Konrad Świerczek (Kraków/PL) Alicja Klimkowicz (Tokyo/JP), Bogdan Dabrowski (Warsaw/PL)

P68 In situ crystallization and structural studies of allylamine and alcohol co-crystals Bernadeta Prus, Łukasz Dobrzycki, Michał Cyrański, Roland Boese (Warsaw/PL)

Bio-Crystallography II – EnzymesP69 Optimizing drug design by inhibiting the steroid biosynthesis enzyme CYP51 Hebatalla Mohamed, Stephen Bell (Adelaide/AU)

P70 Dual-function tail tubular proteins of bacteriophages Anna Pyra (Wrocław/PL), Karolina Filik, Ewa Brzozowska (Wrocław/PL)

Organic molecules and coordination compoundsP71 Porous mixed metal organic frameworks as precursors for heterogeneous catalysts Hans Gildenast, Ulli Englert (Aachen/DE)

P72 From nano-balls to nano-bowls – Pentaphosphaferrocene-based supramolecule with open architecture Eugenia Peresypkina (Regensburg/DE) Alexander Virovets (Regensburg/DE; Novosibirsk/RU), Manfred Scheer (Regensburg/DE)

P73 Characterization and thermal behaviour of the iron dietary supplement ferrous glycine sulphate pentahydrate Gianpiero Gallo (Stuttgart/DE, Salerno/IT), Sebastian Bette Robert E. Dinnebier (Stuttgart/DE)

P74 Studies of Fe complexes of N2O2 bis-phenolate ligand based on ethylenediamine Karolina Kałduńska (Toruń/PL), Elham Safaei (Zanjan/IR) Anna Kozakiewicz, Andrzej Wojtczak (Toruń/PL)

P75 Solvothermall synthesis and characterization of 1D Cu(II) coordination polymer with dianion of pirydyne-2,3-dicarboxylate acid Andrzej Kochel, Kamil Twaróg (Wrocław/PL), Małgorzta Hołyńska (Marburg/DE)

P76 Crystal structure, theoretic and spectroscopic analysis of three salts of 2m3na with inorganic acids Volodymyr Medviediev, Marek Daszkiewicz (Wrocław/PL)

Poster PresentatIons

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P77 The influence of the conformation of the bridging ligands on the spin crossover transitions in [Fe(bbtre)3](ClO4)22CH3CN Maria Książek (Chorzów/PL), Marek Weselski, Agnieszka Dreczko, Vladyslav Maliuzhenko, Marcin Kaźmierczak, Aleksandra Tołoczko (Wrocław/PL) Joachim Kusz (Chorzów/PL), Robert Bronisz (Wrocław/PL)

P78 New structural parameter for a description of the geometry of four-coordinate compounds Andrzej Okuniewski, Damian Rosiak (Gdańsk/PL)

P79 Crystal structure of Cu(II) complex salts with 4H-1,2,4-triazole-4-amine derivatives Emilia Ganczar, Agata Białońska (Wrocław/PL)

P80 Synthesis, crystal and molecular structure and biological activity of new chiral sulfonamides with pyrazolo[4,3-e][1,2,4]triazine core Zbigniew Karczmarzyk, Mariusz Mojzych, Zofia Bernat (Siedlce/PL)

P81 The influence of solvents on the crystal structure of thiourea derivative Damian Rosiak, Andrzej Okuniewski, Jarosław Chojnacki (Gdańsk/PL)

P82 The structural study of new thiosemicarbazones with potential antituberculosis activity Waldemar Wysocki (Siedlce/PL), Monika Pitucha (Lublin/PL), Zbigniew Karczmarzyk (Siedlce/PL), Monika Drózd (Lublin/PL)

P83 Reactivity of [RuII(terpy)(N^N)Cl]Cl complexes Anna Kozakiewicz, Marta Chrzanowska, Anna Katafias (Toruń/PL)

P84 “POSS-based open cage” and non-typical structure of its hydrolytic condensation product Patrycja Wytrych, Anna Władyczyn, Tadeusz Lis, Łukasz John (Wrocław/PL)

P85 Novel dichloride platinum(II) complexes with 1,2,4-triazolo[1,5-a]pyrimidine derivatives and sulfoxide ligands Andrzej Wojtczak, M. Jakubowski, I. Łakomska, K. Kałduńska (Toruń/PL), A. Jarzęcki (Brooklyn, NY/US)

P86 Intermolecular interactions in hypodiphosphate salts of caffeine and theophylline Marta Otręba, Katarzyna Ślepokura (Wrocław/PL)

P87 Analysis of the nature of chemical bonds in fenamic acids salts Marta Krawczyk, Irena Majerz (Wrocław/PL)

Poster PresentatIons

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P88 The structures of 3,5-diiodo-l-tyrosinato copper(II) complexes stabilized by weak interaction in and around the metal centers Agnieszka Wojciechowska, Tomasz Rojek, Anna Gągor (Wrocław/PL)

P89 Copper(II) complexes with L-arginine Agnieszka Wojciechowska, Tomasz Rojek, Anna Gągor (Wrocław/PL)

P90 3D coordination polymer of silver(I) bridged by 1,4-dicyanobenzene and nitrate(V) ions Karolina Gutmańska, Anna Ciborska, Anna Dołęga (Gdańsk/PL)

P91 Crystal structures of 4-ethynyl-2,1,3-benzothiadiazole and 4,7-diethynyl-2,1,3-benzothiadiazole Jan Alfuth, Katarzyna Kazimierczuk, Teresa Olszewska (Gdańsk/PL)

P92 Purine alkaloid systems with 2,6-dihydroxybenzoic acid as a coformer – X-ray structural analysis and solubility studies Mateusz Gołdyn, Mateusz Pawlaczyk, Elźbieta Bartoszak-Adamska (Poznań/PL)

P93 Natural bon orbital approach to the intermolecular interactions Rafał Kruszyński (Łódź/PL)

P94 Similarities in diversity - crystal structures of glycyrrhetinic acid acetate derivatives Barbara Wicher, Dominik Langer, Ewa Tykarska (Poznań/PL)

P95 Crystallographic and NMR structuralstudies on halogen derivatives of 2”-deoxyglucose and 2”-deoxymannose Marcin Ziemniak, Maja Sołtyka, Damian Trzybinski, Sylwia Pawlędzio Anna Zawadzka-Kazimierczuk, Wiktor Kozminski (Warsaw/PL) Waldemar Priebe (Houston/US), Krzysztof Wozniak, Beata Pajak (Warsaw/PL)

P96 Synthesis and structural studies of 5-methylamine derivatives of 4-aminoaryl-2-phenyl-6-methylpyrimidine Iwona Bryndal (Wrocław/PL)

P97 Analysis of influence of anions and solvent molecules on the structure of imidazolium salt cations Andrzej K. Gzella (Poznań/PL), Józef Garbarczyk (Gniezno/PL) Sylwia Chmielewska (Poznań/PL)

P98 Amine-imine tautomerism in isomeric 2-(o-,m-,p- hydroxyphenyl)- Amino-1,3-Thiazol-4(5H)-Ones Andrii Pyrih, Andrzej K. Gzella (Poznań/PL), Roman Lesyk (Lviv/UA) Mariusz Jaskólski (Poznań/PL)

Poster PresentatIons

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Bio-Crystallography III – Instrumentation & hybrid methodsP99 EMBL beamlines for macromolecular crystallography at PETRA Thomas R. Schneider, Gleb Bourenkov, Guillaume Pompidor, David von Stetten Isabel Bento, Michael Aghte, Saravanan Panneerselvam (Hamburg/DE)

P100 X-ray crystallography, used to gather spatial knowledge about biomolecules requires several handling steps. Novel sample holder act as a platform supporting all steps from crystallization, ligand soaking and data collection at both, ambient and cryogenic temperature without direct crystal handling Christian Feiler, Dirk Wallacher (Berlin/DE), Iosifina Sarrou (Hamburg/DE) Uwe Müller (Hamburg/DE, Lund/SE), Manfred S. Weiss (Berlin/DE)

P101 MetalJet source enabling advanced protein crystallography Emil Espes, Julius Hållstedt (Kista/SE)

P102 Encapsulation of inorganic nanoparticles into protein containers towards highly ordered biohybrid material Michael Rütten, Tobias Beck (Hamburg/DE)

P103 SAD phasing using a novel gadolinium complex Dominic Gilzer, Laura Venne, Thorsten Glaser, Hartmut H. Niemann (Bielefeld/DE)

P104 In-house PX systems – Bone or bane? Martin Adam, Michael Mrosek, Jens Luebben, Vernon Smith Holger Ott (Karlsruhe/DE)

Extreme/non-ambient conditionsP105 What can we learn from high pressure protein crystallography? Katarzyna Kurpiewska, Krzysztof Lewiński (Kraków/PL)

P106 The heatstream for STOE single crystal X-ray diffractometers – high-temperature diffraction up to 1073 K Tom Faske, Jens Meyer, Thomas Pippinger, Jens Richter (Darmstadt/DE)

P107 Pressure-induced disulfide methathesis reactions Paulina Ratajczyk, Szymon Sobczak, Andrzej Katrusiak (Poznań/PL)

Quantum crystallographyP108 Single crystal growth of alkali platinum group metal oxides Linda Kerkhoff, Petra Becker (Köln/DE)

Poster PresentatIons

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39

Disordered materials and complex and aperiodic structuresP109 Ion-irradiation induced swelling and structural changes of diamonds Katja Bunk, Wolfgang Morgenroth (Frankfurt am Main/DE) Igor Alencar (Rio Grande do Sul/BR), Marc Hanefeld (Frankfurt/DE) Christina Trautmann (Darmstadt/DE), Björn Winkler (Frankfurt am Main/DE)

P110 MEAD and cation distribution in CZTSe, CFTS, and CZSiSe Daniel M. Többens, Galina Gurieva, Sara Niedenzu, Götz Schuck Ivo Zizak, Susan Schorr (Berlin/DE)

P111 Synthesis and structural characterization of new dabco-templated metal sulfates Tamara Bednarchuk (Wrocław/PL)

P112 The crystal chemistry of fedorite from Murun massif and its relationship to the structure of martinite Ekaterina Kaneva (Saint Petersburg, Irkutsk/RU)

P113 First order CDW phase transition in Er2Ir3Si5 Sander van Smaalen, Sitaram Ramakrishnan, Andreas Schönleber Toms Rekis, Natalija van Well, Leila Noohinejad (Bayreuth/DE), Biblap Bag Arumugam Thamizhavel, Srinivasan Ramakrishnan, Dilip Pal (Mumbai/IN) Martin Tolkiehn, Carsten Paulmann (Hamburg/DE)

P114 Phase transitions and structural development of FeOCl at high-pressure low-temperature conditions Achim M. Schaller (Bayreuth/DE), Maxim Bykov, Elena Bykova (Washington DC/US), Konstantin Glazyrin (Hamburg/DE), Sander van Smaalen (Bayreuth/DE)

P115 Ferroelectricity in modulated supramolecular chains of phenazinebromanilic acid Leila Noohinejad, Martin Tolkiehn, Michał Kamiński (Hamburg/DE) Sander van Smaalen (Bayreuth/DE)

P116 Envelope function analysis of quasicrystals Radosław Strzałka, Janusz Wolny (Kraków/PL)

InstrumentationP117 Advances in the parameter space concept for crystal structure determination: Use of neutron diffraction data and resolution study Matthias Zschornak (Freiberg, Chemnitz/DE), Melanie Nentwich Dirk C. Meyer (Freiberg/DE), Armin Kirfel (Bonn/DE), Karl Fischer (Saarbrücken/DE)

Poster PresentatIons

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40

Poster PresentatIons

P118 Value engineering in engineering projects Mahmoud Elshourbagy (Almansoura/EG)

P119 Clustering of atom types in University at Buffalo DataBank Paulina Rybicka, Marta Kulik, Paulina Maria Dominiak (Warsaw/PL)

P120 Challenges of charge density under high pressure – study on α-glycine Szymon Sutuła, Maura Malińska, Roman Gajda, Anna Makal Marcin Stachowicz (Warsaw/PL), Pierre Fertey (Saint-Aubin/FR) Krzysztof Woźniak (Warsaw/PL)

P121 Pushing the limits of microfocus X-ray sealed tube sources for biological and chemical crystallography Jürgen Graf (Geesthacht/DE), Tobias Stürzer (Karlsruhe/DE) Matthew Benning (Madison/US), Holger Ott (Karlsruhe/DE), Paul Radcliffe Jenss Schmidt-May, Carsten Michaelsen (Geesthacht/DE)

P122 The reason of formation of nonattractive S∙∙∙S contacts in thioamides Anita Grześkiewicz, Agata Owczarzak, Maciej Kubicki, Zbigniew Dutkiewicz (Poznań/PL), Rafał Kurczab, Wojciech Pietruś (Kraków/PL)

P123 Molecular dynamics investigation of the phenolic oxidative coupling protein Hyp-1 Joanna Śmietańska, Tomasz Kozik, Radosław Strzałka, Ireneusz Bugański Janusz Wolny (Kraków/PL), Mariusz Jaskólski (Poznań/PL)

P124 Neutron Laue diffraction at neutron source BER II Michael Tovar (Berlin/DE)

Late posterIncommensurately modulated structure of a Palladium Complex with a difunctionalized Troticenylphosphane ligandDirk Bockfeld (Braunschweig/DE)

Structural studies towards deorphanization of adhesion GPCRsBjoern Kieslich (Leipzig/DE)

Ultra-high-resolution crystal structure of cell wall targeting proteinPiotr Malecki (Warsaw/PL)

Selective Inhibition of DYRK1A kinase for studying the mechanism of diseaseAlex Matsuda (Kraków/PL)

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Wiederbewaldung in LateinamerikaDie Gattung MagnetospirillumVäterliche Vererbung der Mitochon-drien · Inhibitor-vermittelte Dimeri-sierung eines essentiellen Redox-proteins in Trypanosomatiden Chinas Ambitionen in der inter-nationalen Forschung

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Zwischen Kooperation und Konkurrenz – Der alte und der neue Wettlauf zum Mond Teil I

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„Der Herr mit dem Schöpferhut“ – Ernst Haeckels Erbe im DDR­SozialismusTeil II

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Helicobacter-Infektionen · Wie Staphylococcus aureus dem Immun-system entgeht · Phosphathomöo-stase bei Pflanzen · Verlust des Merkmals Blütenfarbe bei einer Petunien-Art reversibel infolge Rückmutation · 5000 Jahre alter Monumentalfriedhof am Turkana-See · Natur des Jahres 2019

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Holm Gero HümmlerVerschwörungsmythen. Wie wir mit verdrehten Fakten für dumm verkau� werden223 Seiten, 23 Abbildungen, eine TabelleKartoniert€ 19,80 [D]ISBN 978-3-7776-2780-9E-Book: PDF. € 19,80 [D]ISBN 978-3-7776-2787-8

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VerschwörungsVerschwörungsVerschwörungsVerschwörungsVerschwörungsVerschwörungsVerschwörungsVerschwörungsVerschwörungsVerschwörungsVerschwörungsVerschwörungsVerschwörungsVerschwörungs--mythenmythenmythenmythenmythenmythenmythen..Wie wir mit verdrehten Fakten für dumm verkauft werden

Verschwörungsglaube hat Konjunktur, sogar in der Weltpolitik � ndet er heute Anhänger. Könnte hinter den Vorstellungen der „Verschwörungs-theoretiker“ vielleicht doch mehr als nur ein Fünkchen Wahrheit stecken? Wer für seine Behauptungen überprü� are Belege anführt, verdient, damit ernst genommen zu werden. Um zu prüfen, ob Mythen oder Fakten hinter den „Theorien“ stehen, sollte sich jemand mit entsprechender Fachkompetenz damit befassen. Das vorliegende Buch hat sich dies zur Aufgabe gemacht – es geht verschiedenen Behauptungen im Bereich Naturwissenscha� und Technik auf den Grund. Die Ergebnisse sind verblü� end, die Erklärungen o� erstaunlich einfach. Wer ehrliche Antworten und Anstöße für eigene Recherchen und Überlegungen sucht, wird sie ganz besonders zu schätzen wissen.

Da stimmt doch was nicht!

Naturwissenschaftliche Rundschau Organ der

Gesellschaft Deutscher

Naturforscher und Ärzte NR

Nematoden als dritte Partner im Mikrokosmos Feige

Mikroplastik – Die lange über­sehene Problematik Anthropo­gener Polymere in der Umwelt

Leonardo da Vinci – Erkenntnis zwischen Kunst und Natur

Rundschau Das Erdmagnetfeld bringt Geowis-senschaftler in Zugzwang · Kohle-kraftwerke erzeugen mehr Ultrafein-staub als Straßenverkehr · Homo luzonensis: Eine neue Menschenart von den Philippinen · Neue Debat-ten um „Romers Problem“ · „Jade-Berge“ – grüne Eisberge · Unerwar-tete Methanbildung bei den Ver-straetearchaeota · Hotspots der

Wiederbewaldung in LateinamerikaDie Gattung MagnetospirillumVäterliche Vererbung der Mitochon-drien · Inhibitor-vermittelte Dimeri-sierung eines essentiellen Redox-proteins in Trypanosomatiden Chinas Ambitionen in der inter-nationalen Forschung

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−−−−−−−−−−−−−−− 1 −−−−−−−−−−−−−−− 2 −−−−−−−−−−−−−−− 3 −−−−−−−−−−−−−−− 4 −−−−−−−−−−−−−−− 5 −−−−−−−−−−−−−−− 6 −−−−−−−−−−−−−−− 7 −−−−−−−−−−−−−−− 8 −−−−−−−−−−−−−−− 9 −−−−−−−−−−−−−−− 10 −−−−−−−−−−−−−−− 11 −−−−−−−−−−−−−−− 12 −−−−−−−−−−−−−−− 13 −−−−−−−−−−−−−−− 14 −−−−−−−−−−−−−−− 15 −−−−−−−−−−−−−−− 16 −−−−−−−−−−−−−−− 17 −−−−−−−−−−−−−−− 18 −−−−−−−−−−−−−−− 19 −−−−−−−−−−−−−−− 20 −−−−−−−−−−−−−−− 21 −−−−−−−−−−−−−−− 22 −−−−−−−−−−−−−−− 23 −−−−−−−−−−−−−−− 24 −−−−−−−−−−−−−−− 25 −−−−−−−−−−−−−−− 26 −−−−−−−−−−−−−−− 27 −−−−−−−−−−−−−−− 28 −−−−−−−−−−−−−−− 29 −−−−−−−−−−−−−−− 30 −−−−−−−−−−−−−−− 31 −−−−−−−−−−−−−−− 32

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socIal ProGramme

42

Welcome receptionCome together for drinks and snacks to enjoy the first evening of the conference with your colleagues in a relaxed atmosphere. Meet new people who are sharing our enthusiasm for crystallography.

Date Monday, 24 February 2020Time 18.00–20.00Fee included in the conference fee, registration requiredVenue Foyer of the conference venue

Social eveningDon’t miss this year’s unique social evening of the conference. It will take place in a very remarkable location, in the Afrykarium of the Zoo in Wrocław. The evening will start with a guided tour through the Afrykarium, a new oceanarium devoted to the flora and fauna of Africa. The tour path winds for almost a kilometre and runs through entire Africa – from Northeast, through Central to West, bypassing Sahara, visiting five regions of the continent (© Wrocław ZOO). After the tour you will have dinner in the restaurant of the Afrykarium and enjoy the evening.

Date Wednesday, 26 February 2020Time 18.30–23.00Fee 45 EURVenue Afrykarium in the Wrocław Zoological Garden Wróblewskiego 1-5, 51-618 Wrocław (Distance to the conference venue: 1,3 km)Meeting point 18.25 at the VIP Business Gate (next to the main entrance of the zoo)

Please make sure to be there ontime!Delayedaccesswillnotbepossible.

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younG crystalloGraPHers

43

Lightning talks of young crystallographersThe “young crystallographers” are happy to welcome you to the 6th lightning talks ses-sion at the Joint Polish-German Crystallographic Meeting. This year, we have one micro-symposium where 19 young crystallographers will introduce their research in 5-minutes appetizer “lightning talks”. Each contribution is complemented by a poster that will be presented and discussed in the poster sessions afterwards.

Date Tuesday, 25 FebruaryTime 15.30–17.00Room Lecture hall 10D

Get together of the young crystallographersWe would like to welcome all members and interested “young” crystallographers (stu-dents, PhD students, postdocs, … , everybody without tenure) to join our get together on Thursday. We will give a brief summary of last year’s activities (especially the 1st Joint Meeting of the “young crystallographers” (DGK) and the “young crystal growers” (DGKK) last September in Cologne) and will talk about the upcoming year. We will elect a new co-chair, and will have plenty of time for general discussions on young crystallographers’ topics. Another highlight will be the granting of the “lightning talks” poster prizes. Snacks, coffee/tea and soft drinks will be served.

Date Thursday, 27 February Time 10.00–11.00Room Seminar room 115

We are looking forward to welcoming you!

Linda, Michael and Jan PhilippChairs of the “young crystallographers”

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44

General InformatIon

Conference languageThe conference language is English.

Opening hours Monday Tuesday Wednesday ThursdayCheck-in 12.00–18.30 08.00–17.30 08.00–16.30 08.30–13.00Industrial exhibition 12.30–20.00 09.00–18.30 09.00–17.30 09.00–13.00

Name badgePlease wear your name badge during all conference events. Admission to scientific sessions and to the industrial exhibition is restricted to participants wearing their badge. Participants will receive their name badge at the check-in on site.

Publication of abstractsAll abstracts will be published in a printed supplement of the journal „Zeitschrift für Kristallographie”, by Walter de Gruyter. The abstract book is available for purchase at the check-in.

Certificates of attendanceCertificates of attendance can be picked up upon request at the check-in on the last conference day.

Conference appUse our conference app for iPhone, iPad and Android smartphones and tablets during the Joint Polish-German Crystallographic Meeting. You can have the conference programme at a glance with all up to date changes. Conference evaluation is also possible.

Android Apple

Please install the app “SynopticCon” via your app store and download the conference to your mobile device.

MealsAround Grunwaldzki Square there are many small bars and restaurants where you can eat cheap meals throughout the day. A dozen quick service bars are located in the Pasaż Grunwaldzki shopping center (300 m from the conference area). There is also a student canteen and café located on the campus, 300 m from the Congress Center (please look for “Centrum kultury studenckiej”), open for conference partici-pants (see map on page 54).

• Reformatting, Optimization and Normalization Screens

for SLAS/ANSI sized plates,• 6 deck positionsracks for tubes and tips, and Linbro plates

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• “All-In-One” modular Microdispenser• No disposables, cutting operating costs• Sitting and hanging drop vapour diffusion experiments

• Nano Protein Dispense Head (non-contact)• Dispenses 50 nl up to 100 µl with a CV of less than 5 %

• LCP (Lipidic Cubic Phase) module (optional)• (Micro)-Seeding and for highly viscous samples

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Dunn Labortechnik GmbH · Thelenberg 6 · 53567 AsbachTel. +49 (0) 26 83 / 43094 · Fax +49(0) 2683 / 42776 · e-mail: [email protected] · Internet: www.dunnlab.de

• Modular customized configurations

• View both visual and UV-images side-by-side

• Optional filters for fluorophores and optional polarizer

• Easy-to-use software for analysis and scoring

• Small footprint, works in a cold roomCrysCamplus

Our Workhorses for yourProtein Crystallography Laboratory!

Page 45: Polish Crystallographic Association€¦ · 15.42 New perspectives of neutron diffraction at National Centre for Nuclear S03-5 Research Świerk (for Polish and German crystallographic

• Reformatting, Optimization and Normalization Screens

for SLAS/ANSI sized plates,• 6 deck positionsracks for tubes and tips, and Linbro plates

• Salt, pH, volume and concentration gradients

• Optional Magnetic Heater/Stirrer System

• Speed of 2 m/sec., versatile tripod

• High speed motion and user friendly software

• “All-In-One” modular Microdispenser• No disposables, cutting operating costs• Sitting and hanging drop vapour diffusion experiments

• Nano Protein Dispense Head (non-contact)• Dispenses 50 nl up to 100 µl with a CV of less than 5 %

• LCP (Lipidic Cubic Phase) module (optional)• (Micro)-Seeding and for highly viscous samples

Scorpion

Crystal Gryphon LCP

Dunn Labortechnik GmbH · Thelenberg 6 · 53567 AsbachTel. +49 (0) 26 83 / 43094 · Fax +49(0) 2683 / 42776 · e-mail: [email protected] · Internet: www.dunnlab.de

• Modular customized configurations

• View both visual and UV-images side-by-side

• Optional filters for fluorophores and optional polarizer

• Easy-to-use software for analysis and scoring

• Small footprint, works in a cold roomCrysCamplus

Our Workhorses for yourProtein Crystallography Laboratory!

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46

sPonsors, exHIbItors and medIa cooPeratIons

Premium sponsors

Bruker AXS GmbH

Rigaku Europe SE

ExhibitorsAmsterdam Scientific Instruments (ASI)Anton Paar Germany GmbHBruker AXS GmbHDECTRIS Ltd.Excillum ABFIZ KarlsruheFormulatrixHuber Diffraktionstechnik & AXO Dresdenincoatec GmbHMalvern Panalytical GmbHOxford Cryosystems LtdRigaku Europe SERöntgenlabor Dr. Ermrich / Sietronics/SiroQuantSTOE & Cie GmbHXRD Eigenmann GmbH

Further sponsorsCrystal Impact, Dr. H. Putz & Dr. K. Brandenburg GbRDouglas Instruments LtdDunn Labortechnik GmbHHilgenberg GmbHMDPI CrystalsProtein Data Bank in EuropeX-Spectrum GmbH

Media cooperationsDe Gruyter Zeitschrift für Kristallographie Deutscher Apotheker Verlag Naturwissenschaftliche Rundschau E. Schweizerbart Science Publishers European Journal of Mineralogy Elements: An International Magazine of Mineralogy, Geochemistry, and PetrologyMDPI crystalsSpringer Journal of Chemical Crystallography

State at printing.

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47

IndustrIal symPosIa

Rigaku Europe SE

Rigaku are pleased to be holding a lunchtime seminar at the 1st joint JPGCM. During the semi-nar our software R&D manager, Dr Mathias Meyer will introduce the latest product develop-ments, software features and cutting-edge capabilities of our instrumentation. In addition, we will present a short talk on the subject of detector performance from one of our applications team, Dr Christian Schürmann who will cover in more detail the benefits of Hybrid Photon Counting detector technology and why we believe it is the best choice for high performance X-ray crystallography. All are welcome and we hope to welcome you on Tuesday, 25th February between 2.30–3.30 p.m. Lunch will be provided.

Date Tuesday, 25 February Time 14.30–15.30Room seminar room 115

Bruker AXS GmbH

A warm welcome from Bruker to the 2020 Joint Polish-German Crystallographic Meeting 2020. We will be delighted to meet you at the Bruker symposium where we will be present-ing a number of hot topics including latest news on the IμS DIAMOND sources, our PHOTON detectors and an update on new and exciting APEX3 and PROTEUM3 features

Date Wednesday, 26 FebruaryTime 12.30–13.30Room Seminar room 115

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48

Index of sPeakers, autHors and cHaIrs

AAbdul Azeeze, M. S. T. 31Acker, J. 12Adam, M. 38Aghte, M. 38Agthe, M. 18Aksenov, S. 32Alarcón, J. 30Albrecht, R. 28Alencar, I. 39Alfuth, J. 37Aliyeva, Y. N. 21Аliyeva, Y. R. 21Altmann, P. 20Amigó, J. M. 30Amiraslanov, I. R. 21An, Y. 16, 32Andriyevsky, B. 8Andrzejewski, B. 34Andrzejewski, M. 22Anemüller, S. 31Aprilia, A. 30Araki, M. 31Arhangelskis, M. 15Arinicheva, Y. 25Askerova, P. A. 21Аzizova, К. А. 21

BBag, B. 39Bahtiar, A. 30Bąkowicz, J. 33Baran, V. 12Barciszewski, J. 11Bareiß, K. 29Barich, D. 30Barthel, T. 11Bartoszak-Adamska, E. 37Baruch, P. 32Baumann, N. 25Bayarjargal, L. 22, 33Beck, T. 18, 38Becker, P. 38Beddard, G. S. 18Bednarchuk, T. 39Bell, S. 35Benning, M. 40Bento, I. 38Berent, K. 32Berkowski, M. 28Bernardes, C. E. S. 34Bernat, Z. 36Berndt, L. 14Bernicke, M. 33Bette, S. 13, 15, 24, 33, 35Białas, N. 8Białońska, A. 12, 19, 20, 36Bienert, R. 30

Billinge, S. 30Binck, J. 22Bockfeld, D. 40 Bodensteiner, M. 26Boese, R. 16, 35Bogdanowicz, W. 31Bojarska, J. 32Bonarek, P. 32Borner, C. 28Bornscheuer, U. 14Borowski, P. 15Böttcher, D. 14Bourenkov, G. 18, 38Braun Cula, B. 17Breisch, M. 30Breternitz, J. 12, 16Bretschnieder, M. 17Bronisz, R. 36Brum, J. 30Bryndal, I. 37Brzozowska, E. 35Büchner, B. 17Budzikur, D. 17Bugański, I. 24, 40Bujacz, A. 11, 14Bujacz, G. 11Bunk, K. 39Burke, M. 30Burkhardt, A. 18Büscher, J. 10Buyer, C. 28Bykov, M. 39Bykova, E. 22, 39

CCalatayud, J. M. 30Carrillo, E. 31Checa, A. 11, 30Chen, Z. 13Chiu, K. L. 29Chmielewska, S. 37Chodkiewicz, M. L. 16, 26, 28Chojnacki, J. 19, 36Chrzanowska, M. 36Ciborska, A. 37Cichowicz, G. 16Cichy, K. 19, 35Claussner, J. 25Conrad, M. 29Cooper, R. I. 23Crosas, E. 18Cyrański, M. 12, 16, 35

DDabrowski, B. 35Dallmann, J. 29Danneberg, M. 12

Darby, J. P. 15Daszkiewicz, M. 17, 35Dawidziak, D. 31Debnath, B. 17Deresz, K. 20Desbois, P. 33Dey, S. 8Deyneko, D. 32Dinnebier, R. 12Dinnebier, R. E. 15, 24, 33, 35Dippel, A.-C. 10Dittrich, B. 20Dobrzycki, Ł. 16, 35Doert, T. 8, 21, 28Dominiak, P. M. 16, 26, 28, 40Dołęga, A. 37Drapała, J. 20Dreczko, A. 36Drescher, W. 28Drózd, M. 36Durka, K. 20Dutkiewicz, Z. 40Dyakonenko, V. V. 23

EEggert, G. 15Ehrenberg, H. 34Eibl, M. 25Eich, A. 17Eisele, C. 8Eisenburger, L. 21Elshourbagy, M. 40Emmerling, F. 30, 33, 34Englert, U. 15, 17, 35Epple, M. 8, 19, 29, 30Ernits, K. 19Espes, E. 38Etter, M. 33, 34Exner, J. 25

FFabrykiewicz, P. 10, 21Faske, T. 38Fauth, F. 10Fedorov, R. 11, 32Feig, M. 25Feiler, C. 11, 38Feng, X. 9Fernández-Díaz, M. 24Fertey, P. 40Ficner, R. 10, 32Fiedler, S. 18Filik, K. 35Findeisen, S. 25Finger, R. 12Fischer, D. 8Fischer, K. 39

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General InformatIon

49

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50

Index of sPeakers, autHors and cHaIrs

Folchnandt, M. 29Forsberg, K. 13Franz, A. 16, 19, 33Friese, K. 17, 25Friščić, T. 15Fritsch, C. 34Fritsch, D. 10Fuchizaki, K. 22Fugel, M. 8Fujii, S. 30 GG. Checa, A. 32Gągor, A. 8, 19, 21, 28, 37Gajda, R. 40Gallo, G. 13, 35Ganczar, E. 36Garbarczyk, J. 37Gędziorowski, B. 16, 19Gehrmann, T. 18Genoni, A. 23Genzel, C. 9Gericke, E. 9Gerlach, M. 11Ghoroi, C. 31Gildenast, H. 35Gilzer, D. 38Ginalski, K. 14Giuman, M. 20Glaser, T. 38Glatt, S. 18Glazyrin, K. 39Gluch, J. 9Gobis, K. 34Goffinet, C. 32Goncharenko, A. 19, 29Gorna, M. 31Górna, M. 31Götz, E. 9Götze, J. 12Gołdyn, M. 37Grabowsky, S. 8, 23Graf, J. 40Greco, G. 9Greiner, S. 28Griesshaber, E. 30Grimm, N. 31Grötsch, R. 20Grudnik, P. 14Grudnik, P. 17Gruza, B. 26, 28Gryl, M. 33Grzechnik, A. 17, 21, 25Grześkiewicz, A. 40Günther, D. 8Gurieva, G. 19, 32, 33, 39Gutmann, M. 21, 23Gutmańska, K. 37

Guttmann, P. 9Gzella, A. K. 37Głodek, M. 19Główka, M. 12, 33

HHagiwara, Y. 29, 30Hakanpää, J. 18Hållstedt, J. 38Handzlik, J. 34Hanefeld, M. 39Hansen, A.-L. 34Hansen, G. 31Hauss, T. 11Häussermann, V. 30Haussühl, E. 10Hauwali, N. U. J. 30Havlíček, D. 34Heggen, M. 30Heidemann, J. L. 32Heilmann, M. 30, 34Heinemann, U. 8Henkel, D. 30Hennig, C. 25Herold, S. 12Heuss-Aßbichler, S. 12Hilczer, A. 34Hilgenfeld, R. 8, 31Hinrichsen, B. 24, 33Hock, R. 29Hoell, A. 9Hofmann, D. W. M. 15Hornfeck, W. 12Horrell, S. 18Hoser, A. 30Hoslauer, J.-L. 29Hovestreydt, E. 25Hołyńska, M. 35Hübschle, C. B. 26Huebschle, C. B. 8Huenger, K.-J. 12Huittinen, N. 25Hunger, J. 28Huse, N. 18

IIkeda-Ohno, A. 25Indyka, P. 18Ivashko, O. 10Ivlev, S. 29

JJahangirli, Z. 21Jakubowski, M. 36Janczak, J. 28Janecki, T. 16Jarosz, K. 35Jarzęcki, A. 36

Jarzembska, K. 15, 20Jaskólski, M. 37, 40Jauß, T. 34Jha, K. K. 26Ji, Y. 25John, Ł. 36Jüttner, P. 18

KKaczmarek, K. 32Kähne, T. 31Kalischer, C. 8Kałduńska, K. 36Kamiński, M. 39Kamiński, R. 15, 20Kaneva, E. 39Karczmarzyk, Z. 36Karpics, I. 18Kaszkur, Z. 9, 13Katafias, A. 36Katrusiak, A. 21, 22, 38Katsenis, A. D. 15Kazimierczuk, K. 37Kaźmierczak, M. 36Kałduńska, K. 35Kerkhoff, L. 15, 38Kieslich, B. 40Kinzhybalo, V. 17, 24, 29Kirchlechner, C. 9Kirfel, A. 39Kisiala, M. 31Kiske, S. 33Klebe, G. 11Kleebe, H.-J. 9Kleeberg, C. 28Kleemiss, F. 23Klimkowicz, A. 35Knapp, M. 34Knaus, M. 20Knupfer, M. 17Kochel, A. 35Kohlmann, H. 12Köhnke, J.-A. 14Kojdecki, M. 30Kolb, U. 9Köller, M. 30Konieczny, K. 33Konovalova, I. S. 23Korona-Głowniak, I. 34Kosmyna, M. B. 28Kosyl, K. M. 28Koszuk, J. 16Kowalska, D. 24Kowalski, P. 25Kozak, M. 18Kozakiewicz, A. 35, 36Kozik, T. 40Kozminski, W. 37

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51

Index of sPeakers, autHors and cHaIrs

Kołodziej, T. 18Kraehnert, R. 33Kraus, F. 29Krause, M. 34Krawczyk, J. 31Krawczyk, Ma. 36Krawczyk, Mo. 29Kremer, M. 15Krówczyński, A. 20Krüger, L. 32Krumrey, M. 9Krupskaya, Y. 17Kruszyński, R. 15, 16, 19, 37Książek, M. 36Kubicki, M. 40Kucharczyk, D. 25Kuleshova, L. 15Kulik, M. 16, 26, 40Kulka, A. 13, 16, 33Kumar, P. 26Kurczab, R. 40Kurpiewska, K. 38Kurz, M. 28Kuska, M. 31Kuska, M. 31Kusov, Y. 31Kusz, J. 36Kutner, J. 14, 31Kutniewska, S. 15, 20

LLaatsch, B. 18Lach, M. 18Lagos, N. 11Łakomska, I. 36Langer, D. 37Lehmann, C. 15, 19Lesyk, R. 37Lewiński, K. 11, 14, 16, 32, 38Liao, Z. 9Lidwin, W. 31Lima, G. 11Lin, D. 31Lis, T. 36Liu, S. 11Lobanov, S. 22Loch, J. 11, 32Löffler, M. 9Loll, B. 11Losch, P. 34Loza, K. 8, 19, 29, 30Lu, L. 16Lübben, J. 26Ludt, C. 10Luebben, J. 38Luisi, B. 13

MMacchi, P. 22Macías-Sánchez, E. 11Mączka, M. 19Madura, I. 32Magerl, A. 9, 24Majerz, I. 36Makal, A. 16, 19, 40Malaspina, L. A. 23Malecki P. 40Malińska, M. 20, 23, 31, 40Maliuzhenko, V. 36Mamedov, N. T. 21Maniukiewicz, W. 33Manstein, D. 32Marquardt, J. 33Marrett, J. M. 15Matelska, D. 14Matsuda, A. 40Mayer, D. 20Mayr, T. 26Mazerant-Politowicz, I. 34Małecka, M. A. 17Medviediev, V. 35Meents, A. 18, 25Mehner, E. 12Mehrabi, P. 18Merski, M. 31Merz, K. 20Metz, A. 11Meurer, F. 26Meven, M. 24, 25Meyer, D. C. 25, 39Meyer, Ja. 18Meyer, Je. 38Meyer, Jo. 18Michaelsen, C. 40Michels, E. 14Miks, D. 16Miller, R. J. D. 18Milman, V. 22Minas da Piedade, M. E. 34Minor, W. 11, 16, 23Minor, W. 14Mohamed, H. 35Mojzych, M. 36Molenda, J. 16, 33Mondal, S. 8Monkenbusch, M. 18Monteiro, D. C. F. 18Morgenroth, W. 22, 39Morris, A. J. 15Morris, K. 25Mossou, E. 20Mrosek, M. 38Müller, H. 14Müller, M. X. 15Müller, T. 17

Müller, U. 11, 38Müller-Dieckmann, C 18 Münchhalfen, M. 12Muska, K. 19Muzioł, T. M. 15

NNabieva, S. A. 21Naudet, D. 25Neder, R. 24, 30Nenert, G. 13Nentwich, M. 25, 39Neu, U. 11Neumeier, S. 25Niedenzu, S. 32, 33, 39Niemann, H. H. 38Nikolova, M. 18Nitek, W. 34Noohinejad, L. 39Noor, F. A. 30Novikov, D. 25Nowak, M. 33

OOeckler, O. 8, 21Okuniewski, A. 19, 36Olczak, A. 34Olejnik, M. 29Oleszak, D. 10Olszewska, T. 37Onyshchenko, O. 19Ostermann, A. 18Otręba, M. 36Ott, H. 26, 38, 40Owczarzak, A. 40

PPajak, B. 37Pal, D. 39Palanisamy, P. 31Palatinus, L. 13Palm, G. 14Palwędzio, S. 19Panneerselvam, S. 38Pardo, P. 30Pascut, L. 21Pasińska, K. 34Paszkowicz, W. 8, 28Paszkowski, R. 31Patnaik, R. 8Paulmann, C. 8, 17, 21, 39Pawinski, T. 23Pawlaczyk, M. 37Pawlędzio, S. 23, 37Pearson, A. R. 18Pedersen, B. 12

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Index of sPeakers, autHors and cHaIrs

Peresypkina, E. 15, 35Petersen, H. 34Petry, W. 18Pham, T. 30Pietraszko, A. 34Pietruś, W. 40Pietrzak, A. 16Pietsch, U. 9Pinna, N. 33Pippinger, T. 38Pitucha, M. 36Plana Ruiz, S. 9Plazuk, D. 19Plewa, A. 13Plocek, J. 34Podgajny, R. 15Poienar, M. 21Polak, K. 31Polikarpov, M. 18Pompidor, G. 38Pöthig, A. 20Półrolniczak, A. 22Priebe, W. 37Prieur, D. 25Prinz, C. 30Prus, B. 35Prymak, O. 8, 19, 29Przenioslo, R. 21Przeniosło, R. 10Ptak, M. 19Pyra, A. 35Pyrih, A. 37Płotek, J. 13

RRacioppi, S. 22Radcliffe, P. 40Rademann, K. 9Radoske, T. 25Ragimli, A. B. 21Rahimi Mosafer, H. S. 28Ramakrishnan, S. 39Ramakrishnan, S. 39Ramisch, Y. 34Raoux, S. 9Ratajczyk, P. 38Rathmann, T. 34Rawski, M. 18Ray, R. 31Raza, H. M. H. 33Reichle, S. 34Reime, B. 18Reisky, L. 14Rejnhardt, P. 17Rekis, T. 24, 39Remko, M. 32Reuther, C. 12

Richter, C. 25Richter, D. 18Richter, J. 38Richter, M. 31Rieger, B. 20Ristau, U. 18Rojek, T. 37Rokhmistrov, D. 29Rosiak, D. 19, 36Rosikhin, A. 30Roske, J. J. 11Rostek, A. 30Rox, K. 31Ruck, M. 28, 31Ruf, M. 26Rum, J. 14Rupp, U. 30Russ, P. 28Russo, L. 30Rutkiewicz, M. 11, 14Rütten, M. 38Rybicka, P. 26, 40Rydz, A. 33

SSafaei, E. 35Sánchez-Navas, A. 11Santiso-Quinones, G. 25Saouane, S. 18Sarrou, I. 38Schaller, A. M. 39Scheer, M. 15, 35Scheinost, A. 25, 26Schleid, T. 15, 28, 29Schmahl, W. 30Schmidt, E. 24Schmidt, M. 25Schmidt, W. 34Schmidt-May, J. 40Schneider, G. 9Schneider, T. 18Schneider, T. R. 18, 38Schnick, W. 21Schökel, A. 12, 33Schön, C. 8Schönleber, A. 12, 39Schorr, S. 10, 12, 16, 19, 20, 31, 32, 33, 39Schrader, T. E. 18Schreuer, J. 10, 12Schuck, G. 31, 39Schulz, B. 28Schulz, E.-C. 18Schuster, M. 29Sengstock, C. 30Senyshyn, A. 12Shabalin, I. G. 16

Shang, S. 29Shaw, S. 25Shekhovtsov, A. N. 28Shishkina, S. 23Shokr, M. 9Siczek, M. 29Siddiqui, K. 32Sieradzki, A. 19Sierański, T. 17Simonet Roda, M. d. M. 30Singh, N. P. 8Ślepokura, K. 17, 36Slyvka, Y. I. 24Śmietańska, J. 24, 40Smirnov, I. 9Smith, V. 38Sobczak, S. 22, 38Sorgenfrei, T. 34Sosnowska, I. 10, 21Sołtyka, M. 37Spahr, D. 10, 33Stachowicz, M. 40Stadnicka, K. M. 33Stalke, D. 12, 19, 23Stankiewicz, M. 18Stefańska, D. 19Steinfeld, G. 25Stękiel, M. 10Stenning, G. 21Stephan-Scherb, C. 20Stöcker, H. 12Stöger, B. 24Strüder, L. 9Strzałka, R. 24, 39Stülke, J. 32Stumpf, T. 25Stürzer, T. 40Subramania Nainar, M. 31Suendo, V. 30Sun, Y. 30Supu, A. 30Sutula, S. 31Sutuła, S. 40Świątkowski, M. 16Świerczek, K. 19, 35Szczesio, M. 34Szczurek, A. 33Sławek, J. 11, 16Sławiński, W. 24

TTaciak, P. 23Tchoń, D. 16Tellkamp, F. 18Terban, M. 30, 33Tereba, N. 15Thamizhavel, A. 39

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Többens, D. M. 31, 39Tolkiehn, M. 21, 39Topal, E. 9Tovar, M. 40Tołoczko, A. 36Trapp, M. 9Trautmann, C. 39

Trebbin, M. 18Trzybiński, D. 16, 28Trzybinski, D. 37Tseng, J. 34Turowska-Tyrk, I. 33Twaróg, K. 35Tykarska, E. 37

UUllrich, E. 16, 32Urbschat, J. 18Utsumi, D. 30 31

VVaksler, Y. A. 23van Smaalen, S. 8, 12, 24, 39van Terwingen, S. 17van Well, N. 12, 39Venne, L. 38Vinograd, V. L. 33Virovets, A. 15, 35von Stetten, D. 18, 38von Zimmermann, M. 10

WWahl, M. C. 11Wahl, M. C. 11Waku, T. 29Walczak, K. 13, 16, 33Walczak, M. 14Wallacher, D. 9, 11, 31, 38Walther, P. 30Wanat, M. 23, 31Wang, S.-J. 17

Wang, Y. 29Wang, Z. 16Wątor, E. 14, 17Wawrzyniak, A. 18 Ważny, G. 33Weber, A. 29Weber, G. 14Weger, M. 20Wei, W. 32Weidenthaler, C. 34Weigel, T. 25Weiss, M. S. 11, 14, 38Wellmann, P. 29Werner, S. 9Weselski, M. 36Wetzel, O. 30Wicher, B. 37Wiecha, M. T. 28Wieduwilt, E. K. 23Wilk, P. 14, 17Winata, T. 30Winkler, B. 10, 22, 33, 39Wöhrle, J. P. 15, 34Woińska, M. 23Wojciechowska, A. 37Wojciechowski, J. 32Wojtczak, A. 35, 36Wolf, W. 16, 25, 32Wollenhaupt, J. 11Wolny, J. 24, 39, 40Woźniak, K. 13, 14, 23, 28, 31, 40Wozniak, K. 23, 31, 37Woźniak, P. 17Wołcyrz, M. 13, 24Wróbel, K. 18Wróbel, P. 11, 32Wrona-Piotrowicz, A. 16Wrzeszcz, G. 15Wysocki, W. 36Wytrych, P. 36Władyczyn, A. 36

YYadava, K. 13Yanai, H. 23Yanbaeva, M. 20Yin, X. 30Yonezawa, S. 29Yorke, B. 18

ZZabrocki, J. 32Zając, W. 33Zaręba, J. K. 17Zawadzka-Kazimierczuk, A. 37Zeslawska, E. 34Zeymer, O. 32Zhang, J. 9Zhang, L. 31Zhou, X. 32Zhu, M. 16, 32Ziegler, A. 30Zielinski, M. 13Zięmbicka, D. 34Ziemniak, M. 37Zimecki, M. 32Zizak, I. 39Zobel, M. 10Zschech, E. 9Zschornak, M. 10, 25, 39Zyman, Z. 19, 29

ŁŁaski, P. 20

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