16–19 March 2015

Transcription

16–19 March 2015

PROGRAMMe
23 rd ANNUAL MEETING
Deutsche Gesellschaft für
Kristallographie
D
G
K
© SUB Göttingen; Pressestelle wiki • wikimedia.org/alcinoe
16–19 March 2015
www.dgk-conference.de
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General Information
Organisation and Imprint ......................................................................................... 4
Welcome Note by the Conference Chair . ................................................................ 5
General Information
Venue and Date, Conference Website, Registration,
Payment/Confirmation of Payment, Accommodation ................................. 6
Cooperation with German Railways ............................................................. 7
Publishing of Abstracts, Poster Awards, Opening Hours, Internet,
Restaurants nearby the conference venue . ................................................. 8
General Guidelines for Authors and Presenters ...................................................... 9
Exhibitors, Sponsors and Media Cooperation.......................................................... Floor Plan.................................................................................................................. Lunch Symposium..................................................................................................... Satellite Meeting ...................................................................................................... Lightning Session und Young Crystallographers Meeting ........................................ 10
11
12
13
14
Social and Cultural Programme . .............................................................................. 16
Programme Overview
Monday, 16 March 2015 ............................................................................... Tuesday, 17 March 2015 ............................................................................... Wednesday, 18 March 2015 ......................................................................... Thursday, 19 March 2015 ............................................................................. 18
19
20
21
Scientific Programme
Monday, 16 March 2015 ............................................................................... Tuesday, 17 March 2015 ............................................................................... Wednesday, 18 March 2015 ......................................................................... Thursday, 19 March 2015 ............................................................................. Posters Overview . ........................................................................................ 22
26
33
39
42
Posters . .................................................................................................................... 43
Index of Plenary Speakers, Presenting Authors and Chairs ..................................... 64
3
Organisation and Imprint
Conference Organiser
Deutsche Gesellschaft für Kristallographie (DGK)
www.dgk-home.de
Conference Chair
Prof. Dr. Ralf Ficner
Georg-August-Universität Göttingen
Institute of Microbiology and Genetics
Goldschmidtstraße 1–3
37077 Göttingen (DE)
Local Organising Committee
Francesca Fabbiani
Ralf Ficner
Karin Kühnel
Werner F. Kuhs
George Sheldrick
Dietmar Stalke
Conference Organisation
Conventus Congressmanagement & Marketing GmbH
Felix Angermüller
Carl-Pulfrich-Straße 1
07745 Jena (DE)
Phone +49 3641 31 16-301
Fax +49 3641 31 16-243
[email protected]
www.conventus.de
Design/Layout
Layout
Print Circulation
Editorial Deadline
4
www.krea.tif-design.de
www.siblog.de
600
3 March 2015
Welcome Note by the Conference Chair
Dear colleagues,
It is a great pleasure to invite you on behalf of the local organizing committee to the
23rd Annual Conference of the Germany Crystallographic Society (DGK), which will
take place at the Georg-August-University in Göttingen. The conference venue is the
Geoscience Center located at the North Campus of the University.
The scope of the 23rd DGK annual meeting is to cover all areas of crystallography including a focus on computational and theoretical crystallography. We are very glad that
a number of renowned scientists, representing the different fields of crystallography,
have accepted our invitation for a
plenary lecture. The 23rd DGK annual meeting will comprise 18 microsymposia, six
plenary lectures and two poster sessions.
It is our intention to provide to all of you an inspiring scientific platform, and we especially encourage young scientists to participate in the conference and in the activities
of the “young crystallographers”.
I’m looking forward to your attendance
Prof. Ralf Ficner
Conference Chair
5
General Information
Venue and Date (for GPS)
Institute of Geoscience
Georg-August University Göttingen
Goldschmidtstraße 1–3
37077 Göttingen (DE)
16–19 March 2015
Conference Website
Registration
Please register online at www.dgk-conference.de.
DGK-Member
DGK Non-Member
Student*
Get Together, 16 March 2015
Social Evening, 18 March 2015
170 EUR
200 EUR
80 EUR
10 EUR
40 EUR
*Confirmation required
Payment/Confirmation of Payment
An invoice or confirmation of registration will be sent to you via postal or electronic mail
within 14 days after online or paper registration. This invoice is a valid invoice which
may be submitted to the local tax and revenue office. All fees are due upon receipt of
invoice/registration confirmation. Payment transfers must include participant’s name
and invoice number. Payment is also accepted by credit card (Master/Eurocard, American Express, VISA). Should you transfer your invoice amount within 10 days before the
start of the event, please present your transfer remittance slip at the check-in desk as
proof of payment.
Accommodation
We have allocated a contingent of rooms at different hotels. Further information can be
found on www.dgk-conference.de. Please note: Conventus GmbH acts as an intermediary party and assumes no liability for reservations made. Changes and cancellations
have to be addressed to the respective hotel directly.
6
General Information
Environment and Climate-Friendly Journey with Deutsche Bahn
Return trip to events of Conventus from 99 EUR
In cooperation with Conventus Congressmanagement & Marketing GmbH and Deutsche Bahn you travel safely and conveniently to the 23rd Annual Conference of the
Germany Crystallographic Society (DGK) in Göttingen. Your way to save the environment: Travel with 100% green power to your event with Deutsche Bahn long-distance
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1st class EUR 159,- (for defined train connection)
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1st class EUR 199,- (for all trains)
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Euro 0.20 per call, from mobiles Euro 0.60 per call at maximum.
*** Prices are subject to change.
7
General Information
Publishing of abstracts
All abstracts will be published in a printed supplement of the journal “Zeitschrift für
Kristallographie”, Walter de Gruyter. The volume is available on demand via registration
for 10 EUR. A digital abstract volume can be found in the conference bags.
Poster awards
(sponsored by Jena Bioscience & Zeitschrift für Kristallographie)
The six best posters will be awarded. The award ceremony will be held during the social
evening. The winners will be informed with a button on their posters.
Opening hours
Check In
Media Check In
Trade Exhibition
Mon 16 March
1300 –2000
1300 –2000
1500 –2000
Tue 17 March
0800 –1900
0800 –1800
1000 –1730
Wed 18 March
0800 –1730
0800 –1800
1000 –1730
Thu 19 March
0800 –1300
0800 –1100
1000 –1100
Internet
WLAN will be provided free of charge. Please find the access data onsite.
Restaurants nearby the conference venue:
Nordmensa
Grisebachstraße 10 • 37077 Göttingen, Distance: 400 m
Kaiserpalast – Chinese Restaurant
An der Lutter 22 • 37075 Göttingen, Distance: 800 m
Shopping Center with a range of fast food restaurants
An der Lutter 22 • 37075 Göttingen, Distance: 800 m
Restaurant “Alte Remise”
Mittelstraße 3a • 37077 Göttingen, Distance: 1,2 km
8
General Guidelines for Authors and Presenters
Submitting your presentation/technical information
Please prepare your presentation in 4:3 aspect ratio. A presentation notebook with a PDF
reader and MS Office PowerPoint 2007 will be provided. The use of personal notebooks
is possible upon agreement. However, it may interrupt the flow of the programme in
the lecture hall. Please provide an adapter for VGA if necessary. A notebook, presenter
and laser pointer are available at the speaker’s podium in the lecture hall. A technical
supervisor will help you.
Speakers preparation
Please submit your presentation at the media check-in, no later than 90 minutes before
the presentation begins. You may view and/or edit your presentation. For submission,
please use a USB flash drive.
Poster sessions
Posters should be no larger than DIN A0 portrait format (84.1 cm x 118.9 cm) not
laminated. Poster boards will be numbered. You will find your poster number in the
programme book on page 43 ff.
Poster authors with an even ID:
- please be present in poster session I on Tuesday, 17 March please mount your poster
on Monday, 16 March and remove it after poster session I at 1800.
Poster authors with an uneven ID:
- please be present in poster session II on Wednesday, 18 March
- please mount your poster on Wednesday, 18 March at 1000 and remove it after
poster session II at 1800.
9
Exhibitors, Sponsors and Media Cooperation
We would like to thank the following companies for their support:
Premium Sponsor Rigaku Europe (Sevenoaks/GB)
Lunch symposium
Agilent Technologies Sales & Service GmbH & Co.KG (Waldbronn/DE)
Sponsor lanyards and name badges
DECTRIS Ltd. (Baden/CH)
Sponsor conference bags
Systat Software GmbH (Erkrath/DE)
Sponsors poster awards
Jena Bioscience GmbH (Jena/DE)
Walter De Gruyter GmbH (Munich/DE)
Sponsors
Crystal Impact GbR (Bonn/DE)
Röntgenlabor Dr. Ermrich (Reinheim/DE)
Media cooperation
Naturwissenschaftliche Rundschau, Wissenschaftlichen Verlagsgesellschaft Stuttgart mbH
Exhibitors
Agilent Technologies Sales & Services GmbH (Waldbronn/DE)
Analytik Jena AG (Jena/DE)
AXO Dresden GmbH (Heidenau/DE)
Bruker AXS GmbH (Karlsruhe/DE)
DECTRIS Ltd. (Baden/CH)
DE GRUYTER/Oldenbourg (Berlin/DE)
EFG GmbH (Berlin/DE)
Excillum AB (Kista/SE)
FIZ Karlsruhe (Eggenstein-Leopoldshafen/DE)
Huber Diffraktionstechnik GmbH & Co. KG (Rimsting/DE)
INCOATEC GmbH (Geesthacht/DE)
International Union of Crystallography (Chester/GB)
MK Versuchsanlagen und Laborbedarf (Mücke/DE)
Oxford Cryosystems Ltd. (Long Hanborough/GB)
PANalytical GmbH (Kassel/DE)
Rigaku Europe UK (Sevenoaks/GB)
Rigaku Europe Germany (Ettlingen/DE)
STOE & Cie GmbH (Darmstadt/DE)
state at printing
10
17
16
2
Catering
entrance
1
Media
CheckIn
entrance
Check-In
Poster
3
Lecture Hall A
Incoatec GmbH
Dectris Ltd
8
9
Excilium AB
7
FIZ Karlsruhe GmbH
6
17
16
15
14
Agilent Technologies Sales & Service GmbH & Co. KG
5
12
11
10
8
13
EFG GmbH
3
Catering
13
Verlag Walter de Gruyter GmbH
MK Versuchsanlagen und Laborbedarf
2
7
14
4
International Union of Crystallography
1
6
5
4
15
DGK 2015 Booth plan
10
11
Lecture Hall B
Analytik Jena AG
Oxford Cryosystems Ltd
Rigaku Europe Germany
Rigaku Europe UK
Stoe & Cie GmbH
PANalytical GmbH
Huber Diffraktionstechnik GmbH & Co. KG & AXO Dresden
Bruker AXS GmbH
9
12
Poster
Lecture Hall C
Floor Plan
state at printing
11
Lunch Symposium
Tuesday, 17 March 2015, 1245–1345, Lecture Hall A
Agilent Technologies (Waldbronn/DE) CrysAlisPro 38: Data quality, fast experimentation AutoChem 2.1 & StructureExplorer
Mathias Meyer, Agilent Technologies
Data quality critically relies on proper instrument calibration. Our new version 38 of
CrysAlisPro features a new approach to calibration enhancing the instrument description and thus giving better data quality. Improved hard and software allow high speed
data acquisition. Multi-threaded acquisition and reduction pipelines allow fast concurrent data reduction. The ‘What is this?’ tool gives chemical connectivity information
in less than 1min. AutoChem 2.1 offers a fine tuned structure completion algorithm
and integrates the latest structure solution and refinement tools. It also offers a new
structure visualizer called ‘StructureExplorer’. It tightly links with the AutoChem 2.1
and the Agilent Olex2 program offering the user an easy handling of the structure from
solution to report.
Inscription is free but limited. Make sure you reserve your seat today.
Lunch will be provided by Agilent.
12
Satellite Meeting
Thursday, 19 March 2015, 1400 –1800
Institute of Inorganic Chemistry, Tammannstrasse 4
RTG Methods Course on Macromolecular applications of SHELX
Immediately after the DGK Meeting, there will be an “IRTG” Methods
Course on macromolecular applications of SHELX” in the Inorganic
Chemistry Institute (about 200 meters from the DGK Meeting).
This course will take place on Thursday March 19th 2015 from 1400 –1800 at the Institute
of Inorganic Chemistry, Tammannstrasse 4, 37077 Göttingen.
It is intended for Ph.D. students and postdocs with some crystallographic experience.
It is independent of the DGK Meeting but it is hoped that some of the participants at
the DGK will stay on for this course.
There is no registration fee but those intending to come are requested to send an email
to Dr. Hanna Steininger ([email protected]) giving name and
affiliation so that we can make name badges and know how much coffee and tea to
provide.
This course will include talks and/or program demonstrations by George Sheldrick
(experimental phasing with SHELXC/D/E), Isabel Usón (ab initio structure solution with
ARCIMBOLDO), Fabio Dall’Antonia (hkl2map) and Tim Grüne (SHELXL refinement against
X-ray and neutron data).
Further details: http://shelx.uni-ac.gwdg.de/SHELX/workshops.php
13
Lightning Session and Young Crystallographers Meeting
Lightning Talks of Young Crystallographers (MS4)
Tuesday, 17 March 2015, 1030 –1230
The “Young Crystallographers” are happy to welcome you to the first Lightning Talks
Session within the Annual DGK Meeting. Encouraged by the great success of this format during our first meeting in Bremen (September 2014, http://dgk-home.de/aks/
jkyc/meeting/), we are looking forward to more than twenty young crystallographers’
5-minutes appetizer “Lightning Talks” (without discussion) to introduce their science.
Each contribution is complemented by a poster that will be presented during the respective sessions.
Get Together of the Young Crystallographers
Wednesday, 18 March 2015, 1230 –1330
We would like to welcome all members and interested “young” crystallographers
(students, PhD students, postdocs, ..., everybody without tenure) to join our 3rd Get
Together on Wednesday, 18 March 2015, 1230 –1330 in Lecture Hall A. Our program will
comprise both, a short summary of last year’s activities (esp. the Meeting in Bremen)
as well as our ideas for the future. We will have elections of new chairs and enough
time for general discussions on Young Crystallographers’ matters. Another highlight
will be the granting of the “Lightning Talks” prizes. We will also welcome friends and
sponsors from industry.
Lunch, coffee/tea and soft drinks will be served.
We are looking forward to welcome you!
Best wishes,
Julia and Oliver
Chairs of the “Young Crystallographers”
14
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as an economical alternative to total system replacement for virtually any scientific analytical instrument on the
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supply conditions as well as having links for safety circuit
MicroMAX® is available with an adjustable stand
Replacement Optics:
The next generation of high efficiency VariMax™ multilayer optics are designed for spectral purity, exemplary
beamsize and minimal divergence. Optical selections include multilayer optics that can focus in one or two
dimensions, bent crystals, channel cut crystals and Pyrolitc graphite.
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Contact: Dr. Paul Pennartz
Email: [email protected]
Phone: +49 2403 15051
www.rigaku.com
Social and Cultural Programme
Welcome Reception
Come together for drinks and snacks after the conference day
to enjoy this evening. Allow yourself interesting conversations with colleagues, old friends, exhibitors and meet new
acquaintances.
Date
Time Venue Fee Monday, 16 March 2015
1930 –2130
Industrial exhibition area
10 EUR
City Tour: Gauß in Göttingen – Great moments of mathematics
Even in his childhood, Carl Friedrich Gauß stood out because of his exceptional mathematical talent. In 1807 he
became a professor for astronomy and the director of the
observatory in Göttingen. Here he made groundbreaking
contributions in the area of mathematics, astronomy, geodesy and physics.
Although Gaus got lots of honourable reputations at other universities, he remained in Göttingen until his death.
During this guided tour, all the locations of Gaus’ work and
life will come alive.
Date
Time Fee Language
Meeting- and
End Point
16
© fotolia.com/CandyBox Images
© wikimedia.org/gemeinfrei
Tuesday, 17 March 2015
1400 –1630
15 EUR
German
Rathaushalle im Alten Rathaus • Markt 9 • 37073 Göttingen
Social and Cultural Programme
A walk through the underworld of Göttingen
In Göttingen there are numerous lovely restored timbered houses. But even in the hidden parts of the town,
the restoration of the historic centre is important. Some
medieval vaulted cellars are already restored with great
effort and experience. The cellars had been workplace
and living area for traders, craftsmen and monks and also
prisoners were locked up here. Some of the cellars, which
are not accessible to the public, will be presented during
the tour.
Date
Time
Fee
Language
Meeting- and
End Point
Wednesday, 18 March 2015
1400 –1530
10 EUR
German
Rathaushalle im Alten Rathaus • Markt 9 • 37073 Göttingen
Social Evening at Restaurant “Bullerjahn”
The restaurant “Bullerjahn“ is located in the old town hall,
built 740 years ago, in the heart of the historic city centre of
Göttingen. With its comfortable and relaxing atmosphere it
gives a perfect ambience for our social evening. For over 600
years visitors had been coming here to enjoy their meals in
the centre of the urban life. Spend with us the evening in a
place where history and modern life come together to enjoy
the last evening of the conference with your colleagues.
Date Time Fee Address © fotolia.com/L A Sonne30
© fotolia.com/L A Sonne30
Wednesday, 18 March 2014
2000 –2300
40 EUR
Restaurant “Bullerjahn” • Markt 9 • 37073 Göttingen
17
Programme Overview • Monday, 16 March 2015
Lecture Hall B
Lecture Hall C
Room 16-5
Bitte unbedingt DIESE Bausteine verwenden wegen Formatierung!!!!
VOR Arbeitsbegin: "Speichern unter" in eurem Ordner!!
Lecture Hall A
10:00–13:00
DGK Board Meeting
14:15–14:30
Opening
14:30–15:30
Plenary lecture 1
Bo Iversen
p. 22
Coffee and industrial exhibition
16:00–18:00
MS01
General Interest
MS03
Challenges in macromolecular
crystallography
MS02
Material Science I
p. 22
p. 23
p. 24
18:00–18:30
Special lecture laureate
Max-von-Laue Award 2014
p. 25
18:30–19:30
DGK Ehrenabend
p. 25
19:30–21:30
Welcome Reception
p. 25
18
Programme Overview • Tuesday, 17 March 2015
Lecture Hall B
Lecture Hall C
Bitte unbedingt DIESE Bausteine verwenden wegen Formatier
VOR Arbeitsbegin: "Speichern unter" in eurem Ordner!
Lecture Hall A
09:00–10:00
Plenary lecture 2
Wayne Hendrickson
p. 26
Coffee break and industrial exhibition
10:30–12:30
MS04
Young Crystallograhers Lightning
Session
MS06
Computational & Theoretical
Crystallography: Macromolecular
structures
MS05
Material Science II
p. 26
p. 28
p. 29
Lunch break and industrial exhibition
12:45–13:45
12:45–13:45
12:45–13:45
Agilent Lunch Symposium
Meeting AK18
Oberflächen und Grenzflächen
Meeting AK1
Biologische Strukturen
p. 30
14:00–15:40
MS07
Inorganic Structural Chemistry I
MS09
Hot new structures of biological
macromolecules
MS08
Material Science III
p. 30
p. 31
p. 31
15:40–17:45
Poster session I
p. 43
17:45–18:45
Plenary lecture 3
Andrew Goodwin
p. 32
18:45–20:30
Member Assembly
19
Programme Overview • Wednesday, 18 March 2015
Lecture Hall B
Lecture Hall C
Bitte unbedingt DIESE Bausteine verwenden wegen Formatierung!!!!
VOR Arbeitsbegin: "Speichern unter" in eurem Ordner!!
Lecture Hall A
09:00–10:00
Plenary lecture 4
Alessia Bacchi
p. 33
10:30–12:30
MS10
Computational & Theoretical
Crystallography: Diffraction versus
wave function?
MS11
Spectroscopy I
p. 33
MS12
Protein function and regulation
p. 34
p. 35
Lunch break and industrial exhibition
12:30–13:30
12:30–13:30
Get Together of the Young
Crystallographers
Meeting AK6
Molekülstrukturen
p. 35
14:00–15:40
MS13
Inorganic Structural Chemistry II
MS14
Structural chemistry at extreme
conditions
p. 36
MS 15
Structures of small biologically active
molecules and protein-inhibitor
complexes
p. 36
p. 37
15:40–17:45
Poster session II
p. 51
17:45–18:45
Plenary lecture
Chrystele Sanloup
p. 38
20:00–23:00
Social Evening at Restaurant "Bullerjahn"
p. 17
20
Programme Overview • Thursday, 19 March 2015
Lecture Hall B
Lecture Hall C
Bitte unbedingt DIESE Bausteine verwenden wegen Formatier
VOR Arbeitsbegin: "Speichern unter" in eurem Ordner!
Lecture Hall A
09:00–10:00
Plenary lecture
Oliver Einsle
p. 39
10:30–12:30
MS16
Material Science IV
MS17
Spectroscopy II
p. 39
MS18
Protein-nucleic acid complexes
p. 40
p. 41
12:30–13:00
Closing
p. 42
21
Scientific Programme • Monday, 16 March 2015
1000 –1300
Room 16-5
DGK Board Meeting
1415–1430
Lecture Hall C
Opening
1430 –1530
Lecture Hall C
P1
Chair
Plenary lecture 1
1600 –1800
Lecture Hall A
Chair
MS01 – General Interest
1600
MS01-T01
Invairom based point charges – a rapid way to the electrostatic
potential
Claudia M. Wandtke (Göttingen/DE), Jens Luebben
Birger Dittrich (Hamburg/DE)
1620
MS01-T02
Extension of empirical force fields to extreme conditions
Detlef W. M. Hofmann (Pula/IT)
1640
MS01-T03
Deuterium disturbs the molecular arrangement in the solid state
Anna Kupka, Klaus Merz (Bochum/DE)
1700
MS01-T04
Ultrafast dynamical study using time-resolved laue diffraction
Sreevidya Thekku Veedu (Hamburg/DE)
Marc Messerschmidt (San Francisco, CA/US), Robert Henning
Vukica Srajer, Irina Kosheleva (Chicago, IL/US)
Simone Techert (Hamburg/DE)
1720
MS01-T05
Three-dimensional solutions of the Helmholtz equation
Georgi Shpenkov (Warsaw/PL)
1740
MS01-T06
Current status of the liquid-metal-jet x-ray source technology
Emil Espes, Björn A. M. Hansson, Oscar Hemberg
Mikael Otendal, Tomi Tuohimaa, Per Takman (Kista/SE)
22
Materials Crystallography
Bo Iversen (Aarhus/DK)
Birger Dittrich (Hamburg/DE)
Christian Lehmann (Mülheim/DE)
1600 –1800
Lecture Hall B
Chair
MS02 – Material Science I
1600
MS02-T01
1620
MS02-T02
1640
MS02-T03
1700
MS02-T04
1720
MS02-T05
1740
MS02-T06
The Cu(2+)-mineral callaghanite Cu2Mg2(CO3)(OH)6·2H2O:
a new candidate for quantum phase transitions at low pressure
Stefan Lebernegg (Dresden/DE), Alexander Tsirlin (Tallinn/EE)
Oleg Janson (Vienna/AT), Yurii Prots, Helge Rosner (Dresden/DE)
Susan Schorr (Berlin/DE)
Structural changes of In- and Na-doped MnWO4 and their
magnetic behaviours
SoHyun Park, Ulf Gattermann, David Behal (München/DE)
Studying behavior of polar nanoregions in
(Ca,Sr)xBa1-xNb2O6 relaxor ferroelectric
Chandra Shekhar Pandey, Jürgen Schreuer (Bochum/DE)
Manfred Burianek, Manfred Mühlberg (Cologne/DE)
New insights into the atomistic origin of chemically-enhanced
response functions of (1-x)Na0.5Bi0.5TiO3-xBaTiO3
Kaustuv Datta, Matthias Göbbels
Reinhard B. Neder (Erlangen/DE)
Boriana Mihailova (Hamburg/DE)
Investigation of the high temperature behavior of the pyroxenes
LiMGe2O6 (M = Cr, V)
Gwilherm Nenert, Masahiko Isobe
Natalia Dadivanyan (Almelo/NL)
Ferroelectricty of Phenazine- chloranilic acid at its
incommensurate and commensurate Phases
Leila Noohinejad, Sander van Smaalen, Swastik Mondal
Andreas Schönleber, Alexander Woelfel, Sk Imran Ali
Somnath Dey (Bayreuth/DE)
23
1600 –1800
Lecture Hall C
Chair
1600
MS03-T01
1620
MS03-T02
1640
MS03-T03
1700
MS03-T04
1720
MS03-T05
24
MS03 – Challenges in macromolecular crystallography
Karin Kühnel (Göttingen/DE)
In vivo grown protein crystals – new targets for serial crystallography
Lars Redecke (Lübeck/DE), Marco Klinge (Lübeck, Hamburg/DE)
Robert Schönherr (Lübeck/DE), Karol Nass (Heidelberg/DE)
Finn Lübber, Janine Mia Rudolph, Svenja Schneegans,
Krystian Fita (Lübeck/DE), Cornelius Gati
Gleb Bourenkov (Hamburg/DE), Dirk Rehders (Lübeck/DE)
Dominik Oberthür (Hamburg/DE)
Björn Philip Sommer (Hamburg, Tübingen/DE)
José M. Martinez-Costas (Santiago de Compostela/ES)
Thomas S. Schneider, Henry N. Chapman (Hamburg/DE)
Michael Duszenko (Tübingen/DE), Kunio Hirata (Hyogo/JP)
Rainer Duden (Lübeck/DE), Christian Betzel (Hamburg/DE)
Sample environment developments for serial crystallography
experiments
Leonard Chavas, Henry Chapman, Sasa Bajt (Hamburg/DE)
Synchrotron based fragment screening at the HZB
Franziska Huschmann (Berlin, Marburg/DE)
Ronald Förster (Berlin/DE), Andreas Heine (Marburg/DE)
Michael Hellmig (Berlin/DE), Gerhard Klebe (Marburg/DE)
Jana Linnik, Piotr Malecki (Berlin/DE)
Nedyalka Radeva (Marburg/DE), Martin Röwer (Berlin/DE)
Johannes Schiebel (Marburg/DE), Karine Sparta
Michael Steffien, Monika Ühlein, Piotr Wilk, Manfred Weiss
Uwe Mueller (Berlin/DE)
Phasing a PH domain via caesium
Wolfgang Kölmel, Caroline Kisker (Würzburg/DE)
Overcoming challenges in macromolecular crystallography data
acquisition with HPC detectors
Marcus Müller (Baden/CH)
1740
MS03-T06
Automated high-throughput diffraction data collection at the
European Synchrotron Facility
David von Stetten (Grenoble/FR)
1800 –1830
Lecture Hall C
Special lecture laureate Max-von-Laue Award 2014
1830 –1930
Lecture Hall C
DGK Ehrenabend
1930 –2130
Foyer
Welcome Reception
Crystallography of functional materials – in operand investigation of
strain mechanisms in actuators
Manuel Hinterstein (Karlsruhe/DE)
Verleihung der Carl-Hermann Medaille,
der Kleber-Gedenkmünze und des Max-von-Laue-Preises
25
Scientific Programme • Tuesday, 17 March 2015
0900 –1000
Lecture Hall C
P2
Chair
Plenary lecture 2
Optimization of Anomalous Diffraction Analysis for Biomolecules
Wayne Hendrickson (New York, NY/US)
George Sheldrick (Göttingen/DE)
1030 –1230
Lecture Hall A
Chairs
1030
MS04-T01
1035
MS04-T02
1040
MS04-T03
1045
MS04-T04
1050
MS04-T05
1055
MS04-T06
Anisotropic Displacement Parameters from Dispersion-Corrected DFT
and their Experimental Validation by X-ray Diffraction
Ai Wang (Aachen/DE)
1100
MS04-T07
Isoreticular solvo- and polymorphs – cu(I) in a Stable Bimetallic
coordination network
Friedrich Steuber (Aachen/DE)
26
MS04 – Young Crystallograhers Lightning Session
Julia Dshemuchadse (Ann Arbor, MI/US)
Oliver Pecher (Cambridge/GB)
Epitaxial growth of pulsed laser deposited Ge-Sb-Te thin films
on (111) oriented substrates
Erik Thelander (Leipzig/DE)
Real time structural dynamics and entropy insights into the
early unfolding kinetics of ubiquitin – rapid mixing micro-channel
based time-resolved small angle X-ray scattering at synchrotrons
Rohit Jain (Göttingen/DE)
Hexanuclear Metallacryptates – Cu(α-amino-carboxylate)2 as
Building Units for Self Assembly
Kevin Lamberts (Aachen/DE)
Biochemical and structural studies on reaction mechanism of the
acetyl-CoA synthesis
Yulia Dendra (Berlin/DE)
Crystallization kinetics of zeolite Li-A(BW) in dependence of the
aluminosilicate educt and the reaction temperature and time
Daria Zeibig (Hannover/DE)
1105
MS04-T08
1110
MS04-T09
1115
MS04-T10
1120
MS04-T11
1125
1135
MS04-T12
1140
MS04-T13
1145
MS04-T14
1150
MS04-T15
1155
MS04-T16
1200
MS04-T17
Do we know the pyroelectric coefficient of Barium Titanate?
Hartmut Stöcker (Freiberg/DE)
CO Dehydrogenase II – digging channels for small molecules
Lilith Domnik (Berlin/DE)
Identifying new inorganic Na-ion conductors using data-mining
and geometric crystallography – the Voronoi-Dirichlet approach
Falk Meutzner (Freiberg/DE)
Synthesis and local structure of CuxZn2-xTiO4 spinel unveiled
by Raman spectroscopy
Man He (Frankfurt a. M./DE)
Break
High resolution polarized Raman scattering study on multiferroic
MnWO4
Fabian Ziegler (Göttingen/DE)
New Mn23Pt12Ga11 phase, synthesis, crystal structure and its
complex phase reaction scheme
Bayardulam Jamiyansuren (Dresden/DE)
Structural chemistry of the SrO-CuO-As2O5 ternary system:
crystal structure of Sr2Cu7(AsO4)6
Sabrina Gerger (Wien/AT)
Crystal branching phenomena in natural and gel grown calcites
Felix Wiethoff (Bochum/DE)
Structure and Dynamics of Substituted η3-Cycloheptatrienide-Pd
Complexes
Christian Jandl (Garching b. München/DE)
Synthesis, X-Ray Structure, Infrared study and anti-corrosion
activity of 1,6‐diammoniumhexandihydrogenodiphosphate dihydrate
Asmaa Zaraq (Casablanca/MA)
27
1205
MS04-T18
1210
MS04-T19
1215
MS04-T20
1220
MS04-T21
1225
MS04-T22
1030 –1230
Lecture Hall B
Chair
1030
MS05-T01
1050
MS05-T02
28
High resolution structure of apo-furin reveals competitive and
allosteric inhibitor mechanisms
Sven O. Dahms (Jena/DE)
From square-planar to octahedral – crystal structures of
cycloplati nated primary amines in octahedral coordinati on
William Raven (Aachen/DE)
Symmetry-mode analysis of the commensurately modulated
superstructure of tetragonal tungsten bronze KMnCrF6
Christina Drahten (Grenoble/FR)
Spinophilin restricts Neurexin signaling to protect from excessive
seeding of new active zones
Jan H. Driller (Berlin/DE)
Crystallographic analysis of the ClpP1/2 heterocomplex from
listeria monocytogenes
Marie-Theres Vielberg (Garching/DE)
MS05 – Material Science II
Robert Dinnebier (Stuttgart/DE)
Pushing the detection limit of in-situ PDF – highly diluted
nanoparticles in organic solvents
Mirijam Zobel (Erlangen/DE), Simon A. J. Kimber (Grenoble/FR)
Reinhard B. Neder (Erlangen/DE)
Nanocrystalline composite ceramics synthesized by high pressure
crystallization of amorphous materials
Nico Alexander Gaida (Kiel, Hamburg/DE)
Norimasa Nishiyama (Hamburg/DE), Astrid Holzheid
Oliver Beermann (Kiel/DE)
1110
MS05-T03
1130
MS05-T04
1150
MS05-T05
1210
MS05-T06
1030 –1230
Lecture Hall C
Chair
1030
MS06-T01
1050
MS06-T02
1110
MS06-T03
1130
MS06-T04
Zinc phosphate nanoparticles for electrochemical energy storage
systems
Constantin Hoch, Sascha Harm (München/DE)
Influence of habitat on texture – a systematic case study of sea
urchin teeth
Bernd Maier, Erika Griesshaber (München/DE)
Franz Brümmer (Stuttgart/DE), Bernhard Ruthensteiner
Wolfgang Schmahl (München/DE)
A new method to derive Crystallite Size Distributions (CSD)
from 2D X-ray diffraction data
Sigmund Neher, Katrin Nützmann, Marwen Chaouachi
Andrzej Falenty, Helmut Klein, Werner F. Kuhs (Göttingen/DE)
Debye scattering formula – Still no valid alternatives after 100 years?
Matteo Leoni (Trento/DE)
MS06 – Computational & Theoretical Crystallography:
Macromolecular structures
Manfred Weiss (Berlin/DE)
Solving macromolecular structures with shelxc/d/e
George Sheldrick (Göttingen/DE)
Macromolecular Phasing with ARCIMBOLDO – single workstation
implementations and combination of partial solutions in reciprocal
space
Isabel Usón (Barcelona/ES)
Recent crystallographic software developments at
webapps.embl-hamburg.de
Fabio Dall’Antonia, Thomas R. Schneider (Hamburg/DE)
From data collection to ligand hits – XDSAPP and automated
refinement pipeline
Karine Sparta, Uwe Mueller, Manfred S. Weiss
Monika Ühlein (Berlin/DE), Franziska Huschmann (Berlin, Marburg/DE)
Johannes Schiebel, Andreas Heine, Gerhard Klebe (Marburg/DE)
Udo Heinemann (Berlin/DE)
29
1150
MS06-T05
1210
MS06-T06
1245–1345
Lecture Hall A
Enzyme mechanisms at ultrahigh resolution
Stefan Lüdtke, Piotr Neumann, Danilo Meyer
Anja Lehwess-Litzmann, Ralf Ficner, Kai Tittmann (Göttingen/DE)
1245–1345
Lecture Hall B
Meeting AK18 Oberflächen und Grenzflächen
1245–1345
Lecture Hall C
Meeting AK1 Biologische Strukturen
1400 –1540
Lecture Hall A
Chair
1400
MS07-T01
1420
MS07-T02
1440
MS07-T03
1500
MS07-T04
1520
MS07-T05
MS07 – Inorganic Structural Chemistry I
30
Pseudo-crystallographic refinement of the E. coli ribosome
structure against cryo-EM maps
Piotr Neumann, Niels Fischer, Holger Stark, Ralf Ficner (Göttingen/DE)
Agilent Lunch Symposium
Tamara Đorđević (Vienna/AT)
Enhanced methods of crystallization – the autothermal reaction,
a case study of sodalite formation
Josef-Christian Buhl (Hannover/DE)
On the Concept of Hemilability – structural Insights into a
Donor-Functionalized Iridium(I) NHC Motif and its impact on reactivity
Alexander Pöthig (Garching b. München/DE)
On the ambient pressure polymorph of K2Ca3Si3O10 – structural and
spectroscopic characterization of an unusual mixed-anion silicate
Daniela Schmidmair, Volker Kahlenberg, Lukas Perfler
Martina Tribus, Johannes Hildebrandt (Innsbruck/AT)
Daniel M. Többens (Berlin/DE)
DSR- A tool for disorder modelling and refinement with SHELXL
Daniel Kratzert, Ingo Krossing (Freiburg i Br./DE)
The next level of single crystal software – APEX3
Holger Ott (Karlsruhe/DE), Charles Campana, Joerg Kaercher
Bruce Noll, Michael Ruf (Madison, WI/US)
1400 –1540
Lecture Hall B
Chair
1400
MS08-T01
MS08 – Material Science III
1420
MS08-T02
1440
MS08-T03
1500
MS08-T04
1520
MS08-T05
1400 –1540
Lecture Hall C
Chair
1400
MS09-T01
Investigation of sodium borohydride NaBH4 in different halide
matrices (NaX) – hydrogen release reactions and new compositions
of the type Na[BH4]xX(1-x), (X= Cl, Br, I)
Zeina Assi, Claus H. Rüscher (Hannover/DE)
Sander van Smaalen (Bayreuth/DE)
Controlling defects in lithium aluminium intermetallics by
hydrogenation
Holger Kohlmann (Leipzig/DE)
Christian Reichert (Saarbrücken/DE)
A new crystal structure type for A-site ordered quadruple
perovskites
Martin Etter, Masahiko Isobe (Stuttgart/DE)
Hiroya Sakurai (Tsukuba, Ibaraki/JP), Robert E. Dinnebier
Hidenori Takagi (Stuttgart/DE)
Formation and properties of Ice XVI – the lowest density
crystalline form of ice produced by empting sII Ne hydrate
Andrzej Falenty (Göttingen/DE), Thomas C. Hansen (Grenoble/FR)
Werner F. Kuhs (Göttingen/DE)
A story of anomalous thermal expansion – Nuremberg scissors,
stacked columns and two-dimensional networks
Tomce Runcevski, Robert E. Dinnebier (Stuttgart/DE)
MS09 – Hot new structures of biological macromolecules
Hermann Schindelin (Würzburg/DE)
Insights into dynein motor function from crystal structures in
two different nucleotide states
Helgo Schmidt, Emma S. Gleave, Ruta Zalyte, Linas Urnavicius
Andrew P. Carter (Cambridge/GB)
31
1420
MS09-T02
Crystal structure of the dynamin tetramer
Thomas F. Reubold (Hannover/DE), Katja Faelber
Nuria Plattner, York Posor, Katharina Branz (Berlin/DE)
Ute Curth (Hannover/DE), Jeanette Schlegel (Berlin/DE)
Roopsee Anand, Dietmar J. Manstein (Hannover/DE)
Frank Noé, Volker Haucke, Oliver Daumke (Berlin/DE)
Susanne Eschenburg (Hannover/DE)
1440
MS09-T03
1500
MS09-T04
1520
MS09-T05
1745–1845
Lecture Hall C
P3
Chair
Extreme longevity of a diiron(III)-peroxo intermediate in DOHH:
an oxygenase involved in hypusination
Zhenggang Han, Naoki Sakai, Lars Böttger, Sebastián Klinke
Alfred X. Trautwein, Rolf Hilgenfeld (Lübeck/DE)
1845–2030
Lecture Hall C
32
Structural basis for organohalide respiration
Martin Bommer (Berlin/DE), Cindy Kunze (Berlin, Jena/DE)
Jochen Fesseler (Berlin/DE), Torsten Schubert
Gabriele Diekert (Jena/DE), Holger Dobbek (Berlin/DE)
Crystallographic study of 2’-5’-oligoadenylate synthase provides
new insights into the function and activation of OAS/cGAS innate
immune sensors
Jan Lohöfener (Hannover/DE)
Nicola Steinke (Hannover/DE; Oxford/GB), Penelope Kay-Fedorov
Petra Baruch, Alexey Nikulin, Svetlana Tishchenko, Dietmar J. Manstein
Roman Fedorov (Hannover/DE)
Plenary lecture 3
Crystallography without crystals?
Andrew Goodwin (Oxford/GB)
Bo Iversen (Aarhus/DK)
Member Assembly
Scientific Programme • Wednesday, 18 March 2015
0900 –1000
Lecture Hall C
P4
Chair
Plenary lecture 4
1030 –1230
Lecture Hall A
Chair
1030
MS10-T01
1050
MS10-T02
1110
MS10-T03
1130
MS10-T04
1150
MS10-T05
MS10 – Computational & Theoretical Crystallography:
Diffraction versus wave function?
Peter Luger (Berlin/DE)
Trapping liquids into crystals
Alessia Bacchi (Parma/IT)
Francesca Fabbiani (Göttingen/DE)
Experimental Charge Density Studies – improvements in data
processing and refinement
Regine Herbst-Irmer, Bendikt Niepötter, Lennard Krause
Felix Engelhardt, Christian J. Schürmann
Dietmar Stalke (Göttingen/DE)
“EXAFS in 3 dimensions” with single-crystal x-ray diffraction
on a zirconium compound
Birger Dittrich (Hamburg/DE), Prinson P. Samuel (Göttingen/DE)
Diffraction AND wavefunction – How the use of a wavefunction
allows to get more out of experimental diffraction data?
Simon Grabowsky (Bremen/DE), Magdalena Woinska (Warsaw/PL)
Dylan Jayatilaka (Perth/AU)
On an enhanced hirshfeld test
Jens Luebben (Hamburg, Göttingen/DE)
George M. Sheldrick (Göttingen/DE)
Birger Dittrich (Hamburg, Göttingen/DE)
Electron-density study of boron-carbide at 100 K
Swastik Mondal, Elena Bykova
Somnath Dey (Mülheim a. d. Ruhr/DE), Sk Imran Ali
Natalia Dubrovinskaia, Leonid Dubrovinsky, Gleb Parakhonskiy
Sander van Smaalen (Bayreuth/DE)
33
1210
MS10-T06
Investigating anharmonic thermal motion in glutathion using the
Maximum-Entropy-Method (MEM)
Christian B. Hübschle (Bayreuth/DE), Charlotte Ruhmlieb
Birger Dittrich (Hamburg/DE), Sander van Smaalen (Bayreuth/DE)
1030 –1230
Lecture Hall B
Chair
1030
MS11-T01
1050
MS11-T02
1110
MS11-T03
1130
MS11-T04
1150
MS11-T05
MS11 – Spectroscopy I
34
Georg Amthauer (Salzburg/AT)
Local ordering of the atoms in intermetallic compounds:
an experimental and theoretical approach
Frank Haarmann (Aachen/DE)
Structural studies of chalcocite Cu2S at low temperatures
Ramil Gainov (Kazan/RU; Berlin/DE), Margarita Russina (Berlin/DE)
Rinat Khassanov, Anatolii Nikolaev, Alexander Dooglav
Ivan Penkov, Vera Klekovkina (Kazan/RU)
Crystal structures and Li ion dynamics of Li3PO4-Li4SiO4
revisited by NMR
Oliver Pecher, Steffen Emge (Cambridge/GB), Yue Deng
Saiful Islam (Bath/GB), Christian Masquelier (Amiens/FR)
Clare P. Grey (Cambridge/GB)
Thermally induced increase of long range order in radiation
damaged pyrochlore and titanite – Raman, NMR spectroscopy
and X-ray diffraction
Peter Zietlow, Tobias Beirau (Hamburg/DE)
Lee A. Groat (Vancouver/CA), Carsten Paulmann, Boriana Mihailova
Ulrich Bismayer (Hamburg/DE)
Pressure-induced spin collapse of octahedrally coordinated
Fe3+ in andradite from experiment and theory
Alexandra Friedrich, Björn Winkler
Wolfgang Morgenroth (Frankfurt a. M./DE), Monika Koch-Müller
Dieter Rhede (Potsdam/DE), Javier Ruiz-Fuertes (Frankfurt a. M./DE)
Victor Milman (Cambridge/GB)
1210
MS11-T06
The hydrogen defect in lithium niobate and lithium tantalite:
a kinetics study
Erik Mehner, Thomas Köhler, Juliane Hanzig, Günter Gärtner
Hartmut Stöcker, Dirk C. Meyer (Freiberg/DE)
1030 –1230
Lecture Hall C
Chair
1030
MS12-T01
1050
MS12-T02
1110
MS12-T03
1130
MS12-T04
1150
MS12-T05
1210
MS12-T06
1230 –1330
Lecture Hall A
MS12 – Protein function and regulation
Hartmut Niemann (Bielefeld/DE)
You CAN teach an old dog new tricks – trypsin variants that
catalyse peptide ligation
Michael Schöpfel, Christoph Parthier, Sandra Liebscher
Ariunkhur Shakhuukhen, Frank Bordusa
Milton T. Stubbs (Halle a. d. Saale/DE)
The crystal structure of FtsH from aquifex aeolicus – of disorded
and C2-symmetric AAA rings
Marina Vostrukhina, Elena Brunstein, Magdalena Schacherl
Ulrich Baumann (Cologne/DE)
Oligomeric assembly states of the AAA+ ATPases Reptin/Pontin
for diverse macromolecular machines
Kristina Lakomek, Gabriele Stoehr, Karl-Peter Hopfner (Munich/DE)
CT441 from Chlamydia trachomatis – structural basis of proteolytic
and chaperone activity
Friedrich Kohlmann, Kensuke Shima, Rolf Hilgenfeld
Werner Solbach, Jan Rupp, Guido Hansen (Lübeck/DE)
Structural Insights into terpenoid biosynthesis
Philipp Baer (Garching/DE), Patrick Rabe
Jeroen S. Dickschat (Bonn/DE), Michael Groll (Garching/DE)
Insights into enzymatic COx-transformations at true-atomic resolution
Jochen Fesseler, Jae-Hun Jeoung, Holger Dobbek (Berlin/DE)
Get Together of the Young Crystallographers
35
1230 –1330
Lecture Hall B
Meeting AK6 Molekülverbindungen
1400 –1540
Lecture Hall A
Chair
1400
MS13-T01
1420
MS13-T02
1440
MS13-T03
1500
MS13-T04
1520
MS13-T05
MS13 – Inorganic Structural Chemistry II
1400 –1540
Lecture Hall B
Chair
1400
MS14-T01
MS14 – Structural chemistry at extreme conditions
36
More on common structural features in bcc and Ni2In Type
Superstructures
Carola J. Müller, Sven Lidin (Lund/SE)
Crystal chemistry of the synthetic alluaudite-like arsenates
Tamara Đorđević, Astrid Wittwer (Vienna/AT)
Formation and crystal-chemical studies of mullite-type aluminum
borate compounds
Kristin Hoffmann, M. Mangir Murshed
Michael Fischer (Bremen/DE), Thomas J. Hooper
John V. Hanna (Coventry/GB), Oleksandr Dolotko (Garching/DE)
Hartmut Schneider (Bremen, Cologne/DE), Thorsten M. Gesing
Reinhard X. Fischer (Bremen/DE)
Hydrogenation Properties of BiPd3 and Related Selenium
Substituted Compounds
André Götze, Holger Kohlmann (Leipzig/DE)
Vacancy ordering in Fe3+ containing perovskite compounds
and structure stabilizing factors
Oliver Clemens (Darmstadt, Eggenstein Leopoldshafen/DE)
A simple EoS for structural phase transitions
Ross Angel (Padova/IT)
1420
MS14-T02
Improving the quality of high-pressure structure refinements
by implementing NPD anvils Ronald Miletich (Vienna/AT), David R. Allan, Mark Warren (Didcot/GB)
Thomas Pippinger (Darmstadt/DE), Takehiko Yagi
Tesuo Irifune (Matsuyama/JP)
1440
MS14-T03
1500
MS14-T04
1520
MS14-T05
1400 –1540
Lecture Hall C
Chair
1400
MS15-T01
1420
MS15-T02
1440
MS15-T03
Pressure-induced phase transitions in the Wadsley-type
bronze b-Li0.33V2O5
Andrzej Grzechnik (Aachen/DE), Yutaka Ueda (Tokyo/JP)
Michael Hanfland (Grenoble/FR), Paul Hering, Vasily Potapkin
Karen Friese (Jülich/DE)
Urea at high pressures and high temperatures
Nadine Rademacher, Lkhamsuren Bayarjargal
Wolfgang Morgenroth, Björn Winkler (Frankfurt a. M./DE)
Unveiling the transformation of α-cyclodextrin at high pressure:
a combined X-ray diffraction and molecular dynamics study
Rubén Granero-García (Göttingen/DE), Ben Corry (Canberra/AU)
MS15 – Structures of small biologically active molecules and
protein-inhibitor complexes
Wolfgang Hoeffken (Ludwigshafen/DE)
Invariom based Electron Density Studies of Sildenafil and
Iso-Sildenafil, a comparison
Peter Luger (Berlin/DE), Birger Dittrich (Hamburg/DE)
Driving forces of co-crystallization – “in silico” vs experimental
screening
Liudmila Kuleshova, Detlef W. M. Hofmann (Pula/IT)
Structural characterisation of novel potent inhibitors for
treatment of TB infections
Sandra Eltschkner (Würzburg/DE), Weixuan Yu (New York, NY/US)
Annica Pschibul (Würzburg/DE), Peter Tonge (New York, NY/US)
Caroline Kisker (Würzburg/DE)
37
1500
MS15-T04
1520
MS15-T05
1745–1845
Lecture Hall C
P5
Chair
Structure-based Design of Selective Ecto-5’-nucleotidase Inhibitors
Jan Pippel, Karen Knapp (Leipzig/DE)
Matthias Zebisch (Oxford/GB), Ali El-Tayeb
Christa E. Müller (Bonn/DE), Norbert Sträter (Leipzig/DE)
Crystallographic fragment screening – challenges, opportunities
and lessons learned
Andreas Heine, Johannes Schiebel, Nedyalka Radeva
Alexander Metz (Marburg/DE)
Franziska Huschmann (Marburg, Berlin/DE), Monika Ühlein
Karine Sparta, Manfred Weiss, Uwe Mueller (Berlin/DE)
Gerhard Klebe (Marburg/DE)
Plenary lecture 5
Short-range order in silicate melts at high pressure
Chrystele Sanloup (Paris/DE) Bo Iversen (Aarhus/DK)
Niedersächsische Staats- und Universitätsbibliothek
38
© SUB Göttingen, Pressestelle Wiki
Scientific Programme • Thursday, 19 March 2015
0900 –1000
Lecture Hall C
P6
Chair
1030 –1230
Lecture Hall A
Chair
1030
MS16-T01
1050
MS16-T02
1110
MS16-T03
1130
MS16-T04
1150
MS16-T05
Plenary lecture 6
Life without Restraints – unusual metal centers in bioinorganic
chemistry
Oliver Einsle (Freiburg/DE)
Ralf Ficner (Göttingen/DE)
MS16 – Material Science IV
Wolfgang Schmahl (München/DE)
The polysulfates [SnO3n+1]2- – Where is the nd? – the first
hexasulfate Rb2[S6O19]
Lisa Verena Schindler, Mathias S. Wickleder (Oldenburg/DE)
Oxidation behaviour of Zintl phases MTt, M=Sr, Ba; Tt=Si, Ge;
under hydrogen pressure
Henry Auer (Leipzig/DE), Patrick Wenderoth (Saarbrücken/DE)
Holger Kohlmann (Leipzig/DE)
Microstructural evolution of ferroelectric BiScO3-PbTiO3
throughout its morphotropic phase boundary
Kaustuv Datta, Andreas Richter, Matthias Göbbels
Reinhard Neder (Erlangen/DE)
The high pressure structural phase transformation of coffinite,
USiO4 studied by experimental and computational methods
Johannes Bauer (Frankfurt a. M./DE)
Sabrina Labs (Jülich/DE), Wolfgang Morgenroth (Frankfurt a. M./DE)
Victor Milman (Cambridge/GB), Hildegard Curtius (Jülich/DE)
Björn Winkler (Frankfurt a. M./DE)
Multiferroic switching kinetics of MnWO4 and TbMnO3
Jeannis Leist (Göttingen/DE), Max Baum, Jonas Stein
Tobias Cronert, Thomas Finger (Köln/DE), Karin Schmalzl
Louis-Pierre Regnault (Grenoble/FR), Arno Hiess (Lund/SE)
Petra Becker, Ladislav Bohaty (Cologne/DE), Götz Eckold (Göttingen/DE)
Markus Braden (Cologne/DE)
39
1210
MS16-T06
X-ray diffraction study of inhomogeneous deformations in α-quartz
single crystal, impacted by a nanosecond electric pulse
Hyeokmin Choe, Semen Gorfman, Michael Zilokowski
Marco Vogt, Stefan Heidbrink (Siegen/DE), Peter Gaal (Berlin/DE)
Wolfram Leitenberger (Potsdam/DE), Ullrich Pietsch (Siegen/DE)
1030 –1230
Lecture Hall B
Chair
1030
MS17-T01
MS17 – Spectroscopy II
1050
MS17-T02
1110
MS17-T03
1130
MS17-T04
40
Michael Fechtelkord (Bochum/DE)
High-pressure induced phase transition of MnWO4 studied by
single crystal XRD and Raman spectroscopy
Javier Ruiz-Fuertes, Alexandra Friedrich (Frankfurt a. M./DE)
Oscar Gomis, Daniel Errandonea (Valencia, Spain/ES)
Wolfgang Morgenroth (Frankfurt a. M./DE)
Juan Angel Sans, David Santamaría-Pérez (Valencia/ES)
Pressure-induced transformation processes in ferroelastic
Pb3(Px As1-x)O4)2, x = 0 and 0.8
Boriana Mihailova (Hamburg/DE), Ross J. Angel (Padua/IT)
Evaluation of structure proposals of modulated Ho2PdSi3 using
diffraction anomalous fine structure
Melanie Nentwich, Matthias Zschornak (Freiberg/DE)
Carsten Richter (Freiberg, Hamburg/DE)
Dmitri Novikov (Hamburg/DE), Dirk C. Meyer (Freiberg/DE)
The site preferences of Al and Ga in (Al, Ga)-doped garnet-type
Li7La3Zr2O12 as deduced from 27Al and 71Ga MAS NMR at ultrahigh
magnetic fields
Daniel Rettenwander (Salzburg/AT), Julia Langer
Walter Schmidt (Graz/AT), Kris Harris (Hamilton/CA)
Victor Terskikh (Ottawa/CA), Gillian Goward (Hamilton/CA)
Martin Wilkening (Graz/AT), Georg Amthauer (Salzburg/AT)
1150
MS17-T05
1210
MS17-T06
Halogen bonds easily revealed with IR-Spectroscopy
Vera Vasylyeva (Aachen/DE), Luca Catalano
Susanta Nayak (Milan/IT), Carlo Nervi (Turin/IT)
Giancarlo Terraneo, Pierangelo Metrangolo
Giuseppe Resnati (Milan/IT)
1030 –1230
Lecture Hall C
Chair
1030
MS18-T01
1050
MS18-T02
1110
MS18-T03
1130
MS18-T04
1150
MS18-T05
MS18 – Protein-nucleic acid complexes
Investigation of the ultra-fast structural changes in metal-organic
complexes – comparison spectroscopy and time-resolved XRD
Dirk Raiser (Göttingen/DE), Sreevidya Thekku Veedu
Darina Storozhuk (Hamburg/DE)
Simone Techert (Hamburg, Göttingen/DE)
Thomas Schneider (Hamburg/DE)
Symportin 1 chaperones 5S RNP assembly during ribosome
biogenesis
Fabiola Rodriguez-Calvino, Satyavati Kharde, Allessandro Ori
Klemens Wild, Martin Beck, Irmi Sinning (Heidelberg/DE)
Structures of two bacterial resistance factors mediating
tRNA-dependent aminoacylation of phosphatidylglycerol with
lysine or alanine
Joern Krausze, Stefanie Hebecker, Joachim Reichelt
Jürgen Moser, Dirk Heinz (Braunschweig/DE)
Crystal structures of GTP-bound eIF5B provide novel insight
into the mechanisms of GTP-dependent conformational
switching and GTP hydrolysis in translational GTPases
Bernhard Kuhle, Ralf Ficner (Göttingen/DE)
Structural studies of the GPN-loop GTPase Npa3
Jürgen Niesser, Andre Heuer, Dirk Kostrewa
Roland Beckmann (Munich/DE), Patrick Cramer (Göttingen/DE)
Short helical interaction modules in a novel spliceosomal subcomplex
Alexander Ulrich, Tonio Schütze, Martin Seeger
Markus C. Wahl (Berlin/DE)
41
1210
MS18-T06
Quaternary structure of Prp19 provides mechanistic insight
into the regulation of its ubiquitin ligation activity
Tales Rocha de Moura, Jana Schmitzova, Csaba Kibedi
Sina Mozaffari Jovin (Göttingen/DE), Mikhail Kachala
Dmitri Svergun (Hamburg/DE), Reinhard Lührmann
Vladimir Pena (Göttingen/DE)
1230 –1300
Lecture Hall C
Closing
Poster Overview
Biostructures
Computational & Theoretical Crystallography
General Interest
Inorganic structural chemistry
Material Science
Spectroscopy
Structural chemistry at extreme conditions
Lightning Session Posters
(see page 43)
(see page 45)
(see page 46)
(see page 47)
(see page 51)
(see page 58)
(see page 60)
(see page 61)
Poster authors with an even ID:
- please be present in poster session I on Tuesday, 17 March please mount your poster
on Monday, 16 March and remove it after poster session I at 1800.
Poster authors with an uneven ID:
- please be present in poster session II on Wednesday, 18 March
- please mount your poster on Wednesday, 18 March at 1000 and remove it after
poster session II at 1800.
42
Poster Presentations
Biostructures
BIO-P01
Facilities for macromolecular crystallography at the HZB
Manfred Weiss, Ronald Förster, Michael Hellmig, Franziska Huschmann
Alexandra Kastner, Eric Kolibacz, Piotr Malecki, Martin Röwer
Karine Sparta, Michael Steffien, Monika Ühlein, Piotr Wilk
BIO-P02
Crystal structure of the catalytic domain of the ethylene receptor
ETR1 from Arabidopsis thaliana
Saravanan Panneerselvam, Jochen Mueller Dieckmann (Hamburg/DE)
BIO-P03
Exploring the role of CooC2 in the maturation of Acetyl-CoA synthase
Christina Wörmann, Jae-Hun Jeoung, Sebastian Goetzl
Holger Dobbek (Berlin/DE)
BIO-P04
Solving structures from the anaerobic degradation pathways
Sina Weidenweber, Ulrike Demmer
Eberhard Warkentin (Frankfurt a. M./DE), Tobias Weinert (Villigen/CH)
Karola Schühle, Johann Heider (Marburg/DE), Simona Huwiler
Claudia Loeffler, Matthias Boll (Freiburg/DE)
Ulrich Ermler (Frankfurt a. M./DE)
BIO-P05
Optimizing data collection in the home lab
Severine Freisz (Karlsruhe/DE), Matthew Benning (Madison, WI/US)
BIO-P06
Structural biology of the pseudomonas aeruginosa quinolone
signaling system
Florian Witzgall, Wulf Blankenfeldt (Braunschweig/DE)
BIO-P07
Thermal stabilization of Polyhydroxybutyrate
Bernd Michael Liebeck, Pavan Kumar Manvi, Thomas Vad
Georg Roth (Aachen/DE)
BIO-P08
Structural and mechanistic studies of RNA-ligating deoxyribozymes
Almudena Ponce-Salvatierra, Vladimir Pena
Claudia Höbartner (Göttingen/DE)
43
BIO-P10
BIO-P11
BIO-P12
BIO-P13
BIO-P14
BIO-P15
BIO-P16
BIO-P17
BIO-P18
44
Introduction to a novel genome browser based on structure prediction
by Phyre2
Joachim Reichelt, Juliane Poppe, Christian Feiler
Wulf Blankenfeldt (Braunschweig/DE)
Terminal Uridylyl Transferases (TUTases) – steps towards understanding
pre-let-7 miRNA degradation
Ankur Garg, Udo Heinemann (Berlin/DE)
βαβββ-module-containing proteins in resistance and metabolism of
Pseudomonas aeruginosa
Monika Popp, Allegra Vit, Wulf Blankenfeldt (Braunschweig/DE)
EMBL Beamlines for macromolecular crystallography at PETRA III
Thomas Schneider, Gleb Bourenkov, Michele Cianci
Johanna Kallio, Guillaume Pompidor, Stefan Fiedler (Hamburg/DE)
On the electron density distrubution of a double zwitterionic dipeptide
Charlotte Ruhmlieb, Birger Dittrich (Hamburg/DE)
Human Prolidase Mutations – structural basis of enzymatic activity loss
Piotr Wilk, Monika Ühlein, Holger Dobbek, Manfred Weiss
Purification and Crystallization of the SiiAB-Complex
Peter Kirchweger, Sigrid Weiler, Claudia Egerer-Sieber
Yves Muller (Erlangen/DE)
Structural and functional characterization of invasin-like proteins
Pooja Sadana, Rebecca Geyer, Petra Dersch
Andrea Scrima (Braunschweig/DE)
Native-like Photosystem II Superstructure at 2.44 Å resolution through
detergent extraction from the protein crystal
Martin Bommer, Julia Hellmich (Berlin/DE)
Anja Burkhardt (Hamburg/DE), Mohamed Ibrahim (Berlin/DE)
Jan Kern (Berkeley, CA/US), Alke Meents (Hamburg/DE)
Frank Mueh (Linz/AT), Holger Dobbek, Athina Zouni (Berlin/DE)
BIO-P19
BIO-P20
BIO-P21
BIO-P22
BIO-P23
mtsslSuite – a PyMOL based toolkit for the integration of macromolecular
crystallography and EPR long-range distance measurements
Gregor Hagelueken, Dinar Abdullin, Olav Schiemann (Bonn/DE)
Test experiments for future laue crystallography at PETRA III
Philip Roedig, Anja Burkhardt, Pontus Fischer, Edgar Weckert
Alke Meents (Hamburg/DE)
The Crystallography Endstation at Beamline P11 at PETRA III
Anja Burkhardt, Pontus Fischer, Dennis Göries, Jan Meyer
Tim Pakendorf, Saravanan Panneerselvam, Bernd Reime
Jan Röver, Nicolas Stübe, Martin Warmer, Alke Meents (Hamburg/DE)
Same yet different – molecular basis of gabaa versus glycine receptor
clustering through gephyrin
Vikram Babu Kasaragod (Würzburg/DE)
Hans Michael Maric (Copenhagen/DK), Torben Johann Hausrat,
Matthias Kneussel (Hamburg/DE), Kristian Strømgaard
Hermann Schindelin (Würzburg/DE)
Expression, purification and crystallisation of MKK7
Patrik Wolle, S. Mayer-Wrangowski, D. Rauh (Dortmund/DE)
Computational & Theoretical Crystallography
CTC-P01
PDF-refinement of crystalline & nanocrystalline Bi2WO6
Michael Teck (Bremen/DE), Henrike K. Grossmann
Tim Grieb (Bremen/DE), Thomas Hartmann (Darmstadt/DE)
Lutz Mädler, Thorsten M. Gesing (Bremen/DE)
CTC-P02
An Empirical Correction for Low Energy Contamination of X-ray Data
Lennard Krause, Regine Herbst-Irmer, Dietmar Stalke (Göttingen/DE)
CTC-P03
TDS – a first step towards an experimental correction
Benedikt Niepötter, Regine Herbst-Irmer, Dietmar Stalke (Göttingen/DE)
CTC-P04
Charge Density Investigations on Low Valent Silicon Containing
Compounds
Dietmar Stalke (Göttingen/DE)
45
CTC-P05
CTC-P06
Validation of charge density refinement strategies
Felix Engelhardt, Lennard Krause, Benedikt Niepötter
Regine Herbst-Irmer, Dietmar Stalke (Göttingen/DE)
Data Collection Strategies for High Resolution Datasets
Christian Joseph Schürmann, Felix Engelhardt
Regine Herbst-Irmer, Dietmar Stalke (Göttingen/DE)
General Interest
GIN-P01
Kinetics of ferroelastic domain switching in SrTiO3 by pulsed electric fields
Götz Eckold, Jakob Sidoruk, Jeannis Leist, Holger Gibhardt
Oleg Sobolev (Göttingen/DE), Bachir Ouladiaff (Grenoble/FR)
GIN-P02
Light-Atom Structures – absolute configuration determination and beyond
Jürgen Graf (Geesthacht/DE), Michael Ruf
Bruce Noll (Madison, WI/US), Severine Freisz, Alexander Gerisch
Holger Ott (Karlsruhe/DE), Birger Dittrich (Göttingen/DE)
Carsten Michaelsen (Geesthacht/DE)
GIN-P03
Synthesis, crystal structures, hydrogen bonds studies and DFT
calculation of new quinoline derivatives
Benyza Nabil, Messai Amel, Zouchoune Bachir (Khenchela/DZ)
GIN-P04
Sulfur as hydrogen bond acceptor within the ADA/DAD synthon in
cocrystals of 6-methyl-2-thiouracil
Wilhelm Maximilian Hützler, Ernst Egert (Frankfurt a. M./DE)
GIN-P05
Time-resolved X-ray diffraction reveals the hidden mechanism of high
electromechanical activity in Sr0.5Ba0.5Nb2O6 uniaxial ferroelectric
Semen Gorfman, Hyeokmin Choe (Siegen/DE)
Vladimir Shvartsman (Essen/DE), Jan Dec (Katowice/PL)
Michael Ziolkowski, Ullrich Pietsch (Siegen/DE)
GIN-P06
Fexofenadinhydrochlorid – ein Antihistaminikum der dritten Generation
Jürgen Brüning, Martin U. Schmidt (Frankfurt a. M./DE)
46
GIN-P07
High-resolution crystallographic investigations of organometallic
compounds
Darina Storozhuk (Hamburg/DE), Simone Techert (Hamburg, Gottingen/DE)
Dirk Raiser (Gottingen/DE)
Inorganic structural chemistry
ISC-P02
Synthesis experiments on zeotype framework host substitution:
Lithium ABW type materials and stable by-products
Philip Törber, J.-Ch. Buhl (Hannover/DE)
ISC-P03
Zeolite crystallization experiments under insertion of laboratory ware
waste material
Tamara Miranda Busche, Andrea Hartmann, Valeriy Petrov
Josef-Christian Buhl (Hannover/DE), Katrin Rübner
Matthias Lindemann (Berlin/DE)
ISC-P04
Growth of M:TiO2±δ (M = Ni, Fe, Co, Mn, Nb) single crystals by means
of induction skull-melting
Matthias Paun, Martin Lerch (Berlin/DE)
ISC-P05
Growth of Luminescent Zirconia-based single crystals by means of
induction skull-melting
Matthias Paun, Eva Heppke, Martin Lerch (Berlin/DE)
ISC-P06
Neutron scattering investigations on mechanochemically prepared CZTS
Anna Ritscher, Martin Lerch (Berlin/DE)
Oleksandr Dolotko (Garching b. München/DE)
ISC-P07
Evaluation of amorphous, turbostratic and crystalline carbon
membranes in the focus of bio-ethanol steam reforming
Alexander Schulz (Hannover/DE), Yanshuo Li (Dalian/CN)
Jürgen Caro (Hannover/DE)
ISC-P08
SrBa2(NH2)6 – a new ternary amide from ammonothermal synthesis
Jan Hertrampf (Stuttgart/DE), Nicolas S. A. Alt
Eberhard Schlücker (Erlangen/DE), Rainer Niewa (Stuttgart/DE)
47
ISC-P09
ISC-P10
ISC-P11
ISC-P12
ISC-P13
ISC-P14
ISC-P15
ISC-P16
ISC-P17
48
Single crystal growth of Mn-doped melilites
Manfred Burianek, Hanna Lührs, Reinhard X. Fischer (Bremen/DE)
High-Temperature Transformation from 1T- to 3R-LixTiS2 – observed in
situ with Neutron Diffraction
Dennis Wiedemann, Suliman Nakhal (Berlin/DE)
Anatoliy Senyshyn (München/DE), Thomas Bredow (Bonn/DE)
Martin Lerch (Berlin/DE)
Intra-cage oxidation and reaction kinetics of nitrite-sodalite to
nitrate-sodalite
Malik Sehovic, Lars Robben, Thorsten M. Gesing (Bremen/DE)
The defect scheelite-type Europium(III)
Ortho-Oxidomolybdate(VI) Eu0.667[MoO4]
Tanja Schustereit, Thomas Schleid, Ingo Hartenbach (Stuttgart/DE)
Structural Distortion in the Compounds (A3N)
As (A = Mg, Ca, Sr, Ba)
Dominik Stoiber, Rainer Niewa (Stuttgart/DE)
Silicates and Phosphates with complex hydrogen bonds – studies with
neutron single crystal diffraction
Martin Meven (Aachen, Jülich/DE), G. Diego Gatta (Milan/IT)
Cs2Eu[Nb6Cl18] – a Sixteen valence electron cluster compound
Dirk Zimmermann, Thomas Schleid (Stuttgart/DE)
Single Crystals of Matlockite-Type YbHCl
Daniel Rudolph, Thomas Schleid (Stuttgart/DE)
UPTe, ThPTe and U2PTe2O – actinide Pnictide Chalcogenides with
Diphosphide Anions
Karoline Stolze, Anna Isaeva, Ulrich Schwarz, Thomas Doert (Dresden/DE)
ISC-P18
ISC-P19
ISC-P20
ISC-P21
ISC-P22
ISC-P23
ISC-P24
ISC-P25
ISC-P26
Synthesis, Crystal Chemistry and Electronic Structure of new mixed
Strontium Trielides
Carolin Meyer, Katharina Köhler, Caroline Röhr (Freiburg/DE)
Composition dependent transitions from cubic to tetragonal in
Li7+xTexI1—xN2
Christoph Ney, Rainer Niewa (Stuttgart/DE)
Crystal Structure of the Cerium(III) Sulfide Chloride
Thioarsenate(III) Ce5S4Cl[AsS3]2
Florian Ledderboge, Thomas Schleid (Stuttgart/DE)
[Mg(H2O)6]2Cl2[B12Cl12] – the first mixed-anionic
Dodecachloro-closo-Dodecaborate Hydrate
Fabian Maximilian Kleeberg, Thomas Schleid (Stuttgart/DE)
Structural Investigations on CsAlD4 by Time-of-Flight Neutron
Powder Diffraction and DFT calculations
Thomas Bernert, Daniel Krech
Michael Felderhoff (Mülheim a. d. Ruhr/DE)
Winfried Kockelmann (Didcot/GB), Terry J. Frankcombe (Canberra/AU)
Claudia Weidenthaler (Mülheim a. d. Ruhr/DE)
Synthesis, crystal structures, hydrogen bonds studies and DFT
calculation of new complexe based on Ni+II
Benyza Nabil, Amel Messai (Khenchela/DZ)
New alkaline-earth mercurides AHg6-xMx
(A=Ca, Sr, Ba; M = Sn, Ga, In, Zn, Cd)
Marco Wendorff, Michael Schwarz, Caroline Röhr (Freiburg/DE)
Formation and structural characterization of the first basic tin(II)-fluoride, Sn9F13O(OH)3 ∙ 2H2O.
Hans Reuter, Elena Uglova, Martin Reichelt (Osnabrück/DE)
Accurate structural parameters of the tin(II) halides from
well-resolved, low-temperature single crystal data
Hans Reuter, Martin Reichelt (Osnabrück/DE)
49
ISC-P27
ISC-P28
ISC-P29
ISC-P30
ISC-P31
ISC-P32
ISC-P33
ISC-P34
ISC-P35
50
[iPrSnI2(pyNO)3][SnI3] · CHCl3 – an organic-inorganic mixed-valence
tin(IV)-tin(II) compound
Hans Reuter, Daniel Schwarte, Martin Reichelt (Osnabrück/DE)
Synthesis and Structural Characterization of the Europium(II,III)
Oxide Ortho-Oxoaluminate Eu3O[AlO4]
Monika Eva Bohem, Olaf Reckeweg, Thomas Schleid (Stuttgart/DE)
Serendipitous Formation of Cesium Mercury(II) Selenide Cs2Hg3Se4 as
high-pressure Phase
Ronja Stromsky, Lucas W. Zimmermann, Ingo Hartenbach
Thomas Schleid (Stuttgart/DE)
The new Dysprosium(III) Oxide Selenide Dy2OSe2
Adrian Harald Geyer, Christian M. Schurz, Thomas Schleid (Stuttgart/DE)
Y2S[SiO4] – a new yttrium sulfide ortho-oxosilicate
Marcel Eberle, Thomas Schleid (Stuttgart/DE)
Crystal structure and phase transition of BaCaBO3F
Manfred Burianek, Carolin Niekamp, Michael Teck, Iris Spieß (Bremen/DE)
Olaf Medenbach (Bochum/DE), Lennart A. Fischer
Paul E. Wolff (Hannover/DE), Johannes Neumann (Oldenburg/DE)
Reinhard X. Fischer (Bremen/DE)
Thermal expansion, bulk and atomistic Debye-temperatures of
|Na8I2|[AlSiO4]6 determined by temperature-dependent
neutron TOF and X-ray scattering.
Lars Robben (Bremen/DE), Isaac Abrahams (London/GB)
Thorsten M. Gesing (Bremen/DE)
Impossible h…h contacts in published Carboxylic Acid and Carboxylic
Acid complex structures
Carl Schwalbe (Cambridge/GB)
Crystal structure of the luminescent oxonitridosilicates
BaLa3Si5O2N9:Ce3+ and La3-xBaxSi6N11-xOx:Ce3+ (x ≈ 0.1)
Lukas Neudert, Dajana Durach (Munich/DE), Oliver Oeckler (Leipzig/DE)
Wolfgang Schnick (Munich/DE)
ISC-P36
ISC-P37
A new Nitride Selenide Chloride of Lanthanum – La4NSe3Cl3
Markus Foltin, Monika Meyer, Falk Lissner, Thomas Schleid (Stuttgart/DE)
Synthesis and structure of two new crystalline silicic acids:
H-Carletonite, H32Si64O144 and Hydrated H-Apophyllite,
H16Si16O40 • 8 H2O
Bernd Marler (Bochum/DE)
Material Science
MSC-P01
Halogengold(I)-Amine complexes and their oxidation products
Cindy Döring, Peter G. Jones (Braunschweig/DE)
MSC-P02
Solvothermal synthesis, structure, and properties of new dioxorhenium(V) compound with aromatic amines
Andrzej Kochel (Wrocław/PL)
MSC-P03
Towards a crystal undulator
Jürgen Härtwig, Simon H. Connell (Johannesburg/ZA)
Dazmen Mavunda (Johannesburg, Pretoria/ZA)
Thu Nhi Tran Thi (Johannesburg/ZA), Werner Lauth (Mainz/DE)
MSC-P04
Formation of Ni(II) Oxime-Bridged Basket-Like complexes and their
structural aspects
Malgorzata Holynska (Marburg/DE)
MSC-P05
Structural complexity of th compounds built from Tellurite
Polyhedra and MO42-(M = S6+/W6+/Mo6+) Tetrahedra
Bin Xiao, Evgeny Alekseev (Jülich/DE)
MSC-P06
MSC-P07
Thermal expansion behaviors of three alkali metal asenotungstates
Pei Zhao, M. Mangir Murshed (Bremen/DE)
Ashfia Huq (Oak Ridge, TN/US), Evgeny V. Alekseev (Jülich, Aachen/DE)
Structural investigations of CH3NH3PbI3
Alexandra Franz, Daniel Toebbens, Susan Schorr (Berlin/DE)
51
MSC-P09
MSC-P10
MSC-P11
MSC-P12
MSC-P13
MSC-P14
MSC-P15
MSC-P16
MSC-P17
52
Thermal expansion anomaly in lithium tungsten bronzes
Md. Shahidur Rahman, M. Mangir Murshed
Michael Fischer (Bremen/DE), Ashfia Huq (Tennessee/US)
Thorsten. M. Gesing (Bremen/DE)
Tow Modifications of Tin(II) Bromide
Pierre Eckold, Werner Hügel, Rainer Niewa (Stuttgart/DE)
The imidosulfates Na2(NHSO3), K2(NHSO3) and BaNa2(NHSO3)2
Vanessa Zimmermann, Mathias Wickleder (Oldenburg/DE)
Structural characterization of Cu2ZnSn(S1-xSex)4 – a comparative study
Galina Gurieva (Berlin/DE), Mirjana Dimitrievska (Barcelona/ES)
R. Gunder (Berlin/DE), H Xie (Barcelona/ES), S. Zander (Berlin/DE)
V. Izquierdo-Roca, A. Pérez-Rodríguez, E. Saucedo (Barcelona/ES)
Microstructural Analysis of Cu2ZnSnSe4 Thin Films by Grazing
Incidence X-Ray Diffraction
René Gunder, Susan Schorr (Berlin/DE), Simón López Mariño
Moisés Espíndola Rodríguez, Edgardo Saucedo (Barcelona/ES)
Synthesis and structural characterization of off-stoichiometric
kesterite type selenide compound semiconductor Cu2ZnSnSe4 (CZTSe)
Laura Elisa Valle Rios, Galina Gurieva, Daniel Többens
Phase content and structural analysis by WDX and X-ray diffraction of
off-stoichiometric Cu2ZnSnS4 (CZTS)
Kai Neldner, Susan Schorr, Daniel Többens
Galina Gurieva (Berlin/DE)
Further insight into U/Th metaphosphate crystal chemistry and effect
of Nd3+ incorporation into U4+ metaphosphate
Na Yu, Evgeny Alekseev (Jülich/DE)
Tunable k2 phase transition in chain polymers
[Pd(acacCN)2Ag]X (X = BF4, ClO4)
Qianqian Guo, Ulli Englert (Aachen/DE)
MSC-P18
MSC-P19
MSC-P20
MSC-P21
MSC-P22
MSC-P23
MSC-P24
MSC-P25
MSC-P26
Investigation of the phase transition of CsGaSe2 by
high-temperature in situ X-ray powder diffraction
Daniel Friedrich (Regensburg/DE), Marc Schlosser
Arno Pfitzner (Regensburg/DE)
(La,Pr)PO4 – a model system for ceramic radioactive waste matrices
Antje Hirsch, Andreas Neumann
Charlotte Schausten (Aachen/DE), Anja Thust (Frankfurt a. M./DE)
Lars Peters, Georg Roth (Aachen/DE)
Flux growth of triphylite – lithiophilite, Li(Fe,Mn)PO4 single crystals
Peter Schmid-Beurmann, Joshua Sibbing
Jan Thiäner (Münster/DE), Werner Lottermoser (Salzburg/AT)
Synthesis and structural investigation of the layered sulfido metalates
A2x[M2-xS2] (A=K, Rb, Cs; M=Fe, Co; x=0.4, 0.5)
Michael Schwarz, Pirmin Stüble, Jan Kägi, Caroline Röhr (Freiburg/DE)
Demixing of multinary metallic liquids during
electrocrystallisation - synthesis and crystal structure of CsIn12
Constantin Hoch, Frank Tambornino, Sabine Hübner (München/DE)
The New Kappa-Diffractometer at Beamline P24
(Chemical Crystallography, PEX-E, Desy)
Carsten Paulmann, Andreas Berghäuser, Dennis Ropers
(Hamburg/DE), Ulrich Bismayer (Hamburg/DE)
Thermal Analysis and Crystal Chemistry of important AFM – phase
solid solutions in CAC cement stones
Stefan Stöber, Herbert Pöllmann (Halle a. d. Saale/DE)
Structural, spectroscopic and compαutational studies on Li2Ca2Si2O7
Volker Kahlenberg, Emanuele Brunello, Clivia Hejny, Hannes Krüger
Daniela Schmidmair, Martina Tribus (Innsbruck/AT)
Daniel M. Többens (Berlin/DE)
Impedance spectroscopy of mullite type Bi2Fe4O9 and Bi2Al4O9 and
their interface reactions at 800°C
Florian Kiesel, Claus Rüscher (Hannover/DE)
53
MSC-P27
MSC-P28
MSC-P29
Microstructural analysis of CuInSe2 thin films by grazing incidence
X-ray diffraction
Julien Marquardt, Susan Schorr, Stephan Brunken (Berlin/DE)
MSC-P30
MSC-P31
MSC-P32
MSC-P33
MSC-P34
MSC-P35
Crystallisation of 11 Å-tobermorite from industrial waste materials
Denise Fregin, Andrea Hartmann
54
Spin and orbital disordering in the hole-doped system Pr1−xCaxVO3
Manfred Reehuis (Berlin/DE), Clemens Ulrich (Sydney/AU)
Paula M. Abdala, Phil Pattison (Grenoble/FR), Jun Fujioka
Shigeki Miyasaka, Yoshinori Tokura (Tokyo/JP)
Bernhard Keimer (Stuttgart/DE)
Experimental studies in boundary systems – low calcian magnesites
Ulf-Niklas Berninger (München, Toulouse/FR), Guntram Jordan
Michael Lindner (München/DE), Eric H. Oelkers (Toulouse/FR)
Alexander Reul (München/DE), Jacques Schott (Toulouse/FR)
Characterization of Lithium Niobate Sol-Gel Thin Films with embedded
Crystalline Particles
Doreen Eger Passos, Diana Karsch, Hartmut Stöcker
Erik Mehner (Freiberg/DE), Ute Bergmann, Dirk Spitzner (Dresden/DE)
Dirk C. Meyer (Freiberg/DE)
Experimental determination of transformation textures in various
semiconductor materials
Nina Pukallus, Helmut Klein, Heidrun Sowa (Göttingen/DE)
The different water contents of LDH-type structure – monosulfate
Stefan Stöber, Herbert Pöllmann (Halle/DE)
Joining forces – combination of IR spectroscopy and DFT calculations to
study the adsorption of carbon monoxide in Na-exchanged chabazites
Montserrat Rodríguez Delgado, Carlos Otero Areán
Clara Oliver Duran (Palma/ES), Michael Fischer (Bremen/DE)
Influence of electric field and domain structure on the
low-temperature Raman spectra of SrTiO3
Holger Gibhardt, Jeannis Leist, Götz Eckold (Göttingen/DE)
MSC-P37
MSC-P38
MSC-P39
MSC-P40
MSC-P41
MSC-P42
MSC-P43
Investigations of the solid state of protected aminoacids in presence of
dicyclohexylamine
Kevin Pappert, Carsten Schauerte, Uwe Schmitz
Klaus Merz (Bochum/DE)
Unusual reduction route to a novel MnIII-polymer with a
tetraazaadamantane-like ligand as linker
Dejan Premužić, Małgorzata Hołyńska (Marburg/DE)
Influence of H/D exchange on the crystallization process of oxalyl
dihydrazide
Viktoria Grasmik (Bochum/DE), Roman Zabatyuk (Kharkiv/UA)
Klaus Merz (Bochum/DE)
Unusual Raman signals in multiferroic Bi2Mn4O10
M. Mangir Murshed (Bremen/DE), Fabian Ziegler, Holger Gibhardt
Götz Eckold (Göttingen/DE), Thorsten M. Gesing (Bremen/DE)
Fast XRD studies with pink beam at the Extreme Conditions Beamline
P02.2 at PETRA III
Wolfgang Morgenroth (Frankfurt/DE)
Hanns-Peter Liermann (Hamburg/DE), Björn Winkler (Frankfurt/DE)
In situ Grazing Incidence Diffraction in electrochemical catalysis:
from theory to experiment (Part II)
Michael Scherzer, Frank Girgsdies, Matthias Friedrich
Elias Frei, Robert Schlögl (Berlin/DE)
Chemical Modification of x and Exchange of M in MxV2O5 and MxFePO4
Jessica Bauer, Guido Kickelbick, Robert Haberkorn (Saarbrücken/DE)
55
MSC-P44
MSC-P45
KMC-2, a versatile diffraction and XAS beamline at BESSY II
Daniel Többens, Stefan Zander, Susan Schorr (Berlin/DE)
MSC-P46
MSC-P47
MSC-P48
MSC-P49
MSC-P50
MSC-P51
MSC-P52
A new low-cost method to take and store Laue patterns
Werner Lottermoser (Salzburg/AT)
56
Influence of substitution and nanostructures on the thermoelectric
properties of disordered tellurides
Stefan Maier (Munich/DE), Felix Fahrnbauer (Leipzig/DE)
Thorsten Schröder, Nadja Giesbrecht (Munich/DE)
Markus Nentwig (Munich, Leipzig/DE)
G. Jeffrey Snyder (Pasadena, CA/US), Oliver Oeckler (Leipzig/DE)
Crystallography and crystal chemistry of alkaline earth
chloroacetates and their hydrates
Ronny Kaden, Herbert Pöllmann (Halle/DE)
Crystallographic investigations of ball-milled gold supported on α-Fe2O3
Seyma Ortatatli, Sarah Immohr
Claudia Weidenthaler (Mülheim a. d. Ruhr/DE)
Synthesis and characterization of monophase, polycrystalline erbium
calcium oxoborate (ErCa4O(BO3)3) for single-crystal growth by Czochralski
Konrad Mielke, Jens Götze, Margitta Hengst (Freiberg/DE)
Modulation, twinning and crystal structures of Λ–Co(sepulchrate)
trinitrate at low temperatures
Somnath Dey, Andreas Schönleber, Sander van Smaalen (Bayreuth/DE)
Finn Krebs Larsen (Aarhus/DK)
Crystal structures, magnetic properties and electrochemical
properties as anode electrode in sodium-ion batteries of
chromium (III)-based phosphates α- and β-Na2Ni2Cr(PO4)3
Rachid Essehli, Mohammed Ait Haddouch, Ilias Belharouak,
Said benmoktar (Casablanca/MA)
Synthesis, structural and corrosion inhibition properties of
Phenylhydrazine dihydrogenophosphate
Aziz Kheireddine, Malika Tridane, Said Benmokhtar
Youness Abboud, Said Belaaoua (Casablanca/MA)
MSC-P53
MSC-P54
MSC-P55
MSC-P56
MSC-P57
MSC-P58
MSC-P59
MSC-P60
The structure of the common limestone corrosion product thecotrichite
Nanna Wahlberg (Aarhus/DK), Robert E. Dinnebier
Andrea Fischer, Gerhard Eggert (Stuttgart/DE)
Light diffraction experiments with micron-sized models of 3D-crystals
Johannes Birkenstock, Mike Bülters, Reinhard X. Fischer (Bremen/DE)
Ti-Substituted BaFe12O19 Single Crystal Growth and Characterization
Sandra Nemrava (Stuttgart/DE), Denis A. Vinnik (Chelyabinsk/RU)
Dmitry A. Zherebtsov (Chelyabinsk, Moscow/RU)
Lubov S. Mashkovtseva (Chelyabinsk/RU)
Anna S. Semisalova (Moscow/RU)
Nikolai S. Perov (Moscow, Kaliningrad/RU)
Igor V. Krivtsov (Chelyabinsk/RU), Ludmila I. Isaenko (Novosibirsk/RU)
Gennady G. Mikhailov (Chelyabinsk/RU), Rainer Niewa (Stuttgart/DE)
Electrostatic potential and Nonlinear Optical Properties of
Zwitterionic Compound – 6-methyl-2-oxo-3-[1(ureidoiminio)ethyl]-2H-pyran-4-olate monohydrate
Abdelkader CHOUAIH, Nadia BENHALIMA, Rachida RAHMANI,
Nourdine Boukabcha, Fodil HAMZAOUI (Mostaganem/DZ)
Molecular and solid-state structure of 5-(5-nitro
furan-2-ylmethylen), 3-N-(2-methoxy phenyl),2-N’-(2-methoxyphenyl)
imino thiazolidin-4-one
Rachida RAHMANI, Abdelkader CHOUAIH
Fodil HAMZAOUI (Mostaganem/DZ)
The anisotropy of the thermal expansion of Mg-, Fe-, and Co-olivines
Peter Schmid-Beurmann, Herbert Kroll
Alexander Sell (Münster/DE), Armin Kirfel (Bonn/DE)
Peter Adelmann, Horst Pentinghaus (Eggenstein-Leopoldshafen/DE)
Change of modulation in relaxor ferroelectric Ca0.28Ba0.72Nb2O6
(CBN28) on quenching
Heribert Graetsch (Bochum/DE)
Structural distortion of biogenic aragonite in Ranella Olerea mollusc
shell layers
Salim Ouhenia (Béjaia/DZ), Daniel Chateigner (Caen/FR)
57
MSC-P61
MSC-P62
MSC-P63
MSC-P64
MSC-P66
The role of Ca in Al-, Li- and [4]B-bearing tourmalines
Andreas Ertl, Ekkehart Tillmanns, Gerald Giester (Wien/AT)
Growth, structural and magnetic characterization of
Al-substituted barium hexaferrite single crystals
Sandra Nemrava (Stuttgart/DE), Denis A. Vinnik, Dmitry A. Zherebtsov
Lubov S. Mashkovtseva (Chelyabinsk/RU), Markus Bischoff (Stuttgart/DE)
Nikolai S. Perov (Moscow, Kaliningrad/RU)
Anna S. Semisalova (Moscow/RU), Igor V. Krivtsov (Chelyabinsk/RU)
Ludmila I. Isaenko (Novosibirsk/RU)
Gennady G. Mikhailov (Chelyabinsk/RU), Rainer Niewa (Stuttgart/DE)
Accurate determination of structural characteristics TiNI-based shape
memory alloys
Boris Kodess, Paul Kodess, Juriy Chumlakov (Moscow/RU)
PDF and Rietveld Analysis of Disordered Rock-Salt-Type Li2VO2F as
Li-ion cathode material
Murat Yavuz (Karlsruhe, Darmstadt/DE)
Inma Peral (Barcelona/ES), Michael Knapp, Ruiyong Chen (Karlsruhe/DE)
Helmut Ehrenberg (Karlsruhe, Darmstadt/DE)
Investigating the annealing behaviour of Eifel sanidine
Johannes Kähn, Daniel Többens, Manfred Reehuis
Spectroscopy
SPE-P01
Sarcosine and betaine crystals on cooling – structural motifs unstable
at high pressure become stable at low temperatures
Eugene Kapustin, Vasily Minkov, Elena Boldyreva (Novosibirsk/RU)
SPE-P02
Nanoparticle precursor into polycrystalline Bi2Fe4O9:
temperature-dependent in-situ investigations by X-ray diffraction,
Raman and Mössbauer spectroscopy
Andrea Kirsch, M. Mangir Murshed, Ariane Friedemann (Bremen/DE)
Piotr Gaczynski, Klaus-Dieter Becker (Braunschweig/DE)
58
SPE-P03
Temperature-dependent X-ray diffraction and Raman spectroscopy of
|Na8(MnO4)2|[AlSiO4]6
Hilke Petersen, Lars Robben, Thorsten M. Gesing (Bremen/DE)
SPE-P04
First Experiments with the New Multiplex-system at the
Three-Axes-Spectrometer PUMA
Götz Eckold, Oleg Sobolev, Ron Hoffmann (Göttingen/DE)
SPE-P05
NMR spectroscopy on magnetically aligned powder samples
Alexander Korthaus, Bernhard Mausolf
Frank Haarmann (Aachen/DE)
SPE-P06
Determination of local atomic arrangements in Ba(M1-xM’x)4 with
(M,M’ = Al, Ga, In) using quantum mechanical calculations and
solid-state-NMR-spectroscopy.
Volker Peters, Bernhard Mausolf, Frank Haarmann (Aachen/DE)
SPE-P07
Time-dependent XPS studies on Li0.4WO3 bronze stored at different
conditions
Niels Lefeld, Andreas Schaefer, M. Mangir Murshed
Md. Shahidur Rahman, Marcus Bäumer
SPE-P08
Of substitution and doping – spatial and electronic structure in iron
pnictides
Michael Merz, Peter Schweiss, Peter Nagel, Meng-Jie Huang
Robert Eder, Thomas Wolf, Hilbert von Loehneysen
Stefan Schuppler (Eggenstein-Leopoldshafen/DE)
SPE-P09
Infrared spectroscopy as a complementary tool for the structure
analysis of hydrous layer silicates
Bernd Marler, Sandra Grabowski, Hermann Gies (Bochum/DE)
Structural chemistry at extreme conditions
SCE-P01
Trigonal bipyramidal coordination of Zn2+ in Zn(NH3)2F2 and Zn(NH3)3F2
Theresia Richter (Stuttgart/DE)
Nicolas S. A. Alt (Stuttgart, Erlangen/DE)
Eberhard Schlücker (Erlangen/DE), Rainer Niewa (Stuttgart/DE)
59
SCE-P02
SCE-P03
SCE-P04
SCE-P05
SCE-P06
SCE-P07
SCE-P08
60
TEV - a tool for the determination and visualization of the thermal
expansion tensor from diffraction data
Volker Kahlenberg, Thomas Langreiter (Innsbruck/AT)
Crystalline hydrates of an amphiphilic ionic liquid and its influence on
drug polymorphism
Sofiane Saouane, Francesca Fabbiani (Göttingen/DE)
Effects of missing data on single-crystal refinement of organic
structures at high pressure
Julian Holstein, Rubén Granero-García
Structural transformations of the silica clathrate chibaite
Katharina Scheidl, Ronald Miletich (Vienna/AT)
Takehiko Yagi (Tokyo/JP), Koichi Momma (Tsukuba/JP)
Melamine at high pressures and high temperatures
Nadine Rademacher, Lkhamsuren Bayarjargal
Wolfgang Morgenroth, Björn Winkler (Frankfurt a. M./DE)
Shock-wave treatment of kaolinite under extreme conditions
Thomas Schlothauer, Kevin Keller, Brendler Erica
Heide Gerhard, Edwin Kroke (Freiberg/DE)
Structural Properties of Nickel Dimethylglyoxime at High
Pressure. Single-Crystal X-ray Diffraction and DFT Studies
Zakharov Boris (Novosibirsk/RU), Ian Bruce-Smith (Edinburgh/GB)
Boris Zakharov (Novosibirsk/RU), Jernej Stare (Ljubljana/SI)
Elena Boldyreva (Novosibirsk/RU), Colin Pulham (Edinburgh/GB)
Lightning Session Posters
LIG-P01
Biochemical and structural studies on reaction mechanism of the
acetyl-CoA synthesis
Yulia Dendra, Sebastian Götzl, Jae-Hun Jeoung, Holger Dobbek (Berlin/DE)
LIG-P02
Epitaxial growth of pulsed laser deposited Ge-Sb-Te thin films on (111)
oriented substrates
Erik Thelander, Ulrich Ross, Jürgen W Gerlach, Andriy Lotnyk
Bernd Rauschenbach (Leipzig/DE)
LIG-P03
Real time structural dynamics and entropy insights into the early
unfolding kinetics of ubiquitin – rapid mixing micro-channel based
time-resolved small angle X-ray scattering at synchrotrons
Rohit Jain, Marcel Petri, Sissi Sonnenkalb, Stefan Becker
Christian Griesinger (Göttingen/DE), Andreas Menzel (Villigen/CH)
Thomas P Burg (Göttingen/DE), Simone Techert (Hamburg, Göttingen/DE)
LIG-P04
Hexanuclear Metallacryptates – Cu(α-amino-carboxylate)2 as Building
Units for Self Assembly
Kevin Lamberts, Ulli Englert (Aachen/DE)
LIG-P05
Crystallization kinetics of zeolite Li-A(BW) in dependence of the
aluminosilicate educt and the reaction temperature and time
Daria Zeibig, Joseph-Christian Buhl (Hannover/DE)
LIG-P06
Anisotropic Displacement Parameters from Dispersion-Corrected DFT
and their Experimental Validation by X-ray Diffraction
Ai Wang, Ulli Englert (Aachen/DE)
LIG-P07
Isoreticular Solvo- and Polymorphs – Cu(I) in a Stable Bimetallic
Coordination Network
Friedrich Steuber, Ulli Englert (Aachen/DE)
LIG-P08
Do we know the Pyroelectric Coefficient of Barium Titanate?
Hartmut Stöcker, Bianca Störr, Sven Jachalke, Erik Mehner
Juliane Hanzig, Maximilian Sonntag, Robert Schmid
Tilmann Leisegang, Dirk C. Meyer (Freiberg/DE)
61
LIG-P09
LIG-P10
LIG-P11
LIG-P12
LIG-P13
LIG-P14
LIG-P15
LIG-P16
LIG-P17
62
CO Dehydrogenase II – Digging channels for small molecules
Lilith Domnik, Jae-Hun Jeoung, Jochen Fesseler
Holger Dobbek (Berlin/DE)
Identifying new inorganic Na-ion conductors using data-mining
and geometric crystallography – the Voronoi-Dirichlet approach
Falk Meutzner, Tina Nestler, Münchgesang Wolfram (Freiberg/DE)
Natalya A. Kabanova (Samara/RU), Tilmann Leisegang (Freiberg/DE)
Vladislav A. Blatov (Samara/RU), Dirk C. Meyer (Freiberg/DE)
Synthesis and local structure of CuxZn2-xTiO4 spinel unveiled by
Raman spectroscopy
Man He, Javier Ruiz-Fuertes, Thomas Bernert
Bjoern Winkler (Frankfurt a. M./DE), Victor L. Vinograd (Jülich/DE)
High resolution polarized Raman scattering study on multiferroic
MnWO4
Fabian Ziegler, Holger Gibhardt, Jeannis Leist (Göttingen/DE)
Petra Becker, Ladislav Bohatý (Cologne/DE), Götz Eckold (Göttingen/DE)
New Mn23Pt12Ga11 phase, synthesis, crystal structure and its complex
phase reaction scheme
Bayardulam Jamiyansuren, Wilder Carrillo-Cabrera, Guido Kreiner
Claudia Felser (Dresden/DE)
Structural chemistry of the SrO-CuO-As2O5 ternary system:
crystal structure of Sr2Cu7(AsO4)6
Sabrina Gerger, Tamara Djordjevic (Wien/AT)
Crystal branching phenomena in natural and gel grown calcites
Felix Wiethoff, Jürgen Schreuer (Bochum/DE)
Structure and dynamics of substituted η3-Cycloheptatrienide-Pd complexes
Christian Jandl, Alexander Pöthig (Garching b. München/DE)
Synthesis, X-Ray Structure, Infrared study and anti-corrosion activity
of 1,6‐diammoniumhexandihydrogenodiphosphate dihydrate
Asmaa Zarao, Aziz Kheireddine, Abdeslam El Bouari
Said Belaaouad (Casablanca/MA)
LIG-P18
LIG-P19
LIG-P20
LIG-P21
LIG-P22
High resolution structure of apo-furin reveals competitive and
allosteric inhibitor mechanisms
Sven O. Dahms, Manuel E. Than (Jena/DE)
From square-planar to octahedral – crystal structures of cycloplati nated primary amines in octahedral coordinati on
William Raven, Irmgard Kalf, Ulli Englert (Aachen/DE)
Symmetry-mode analysis of the commensurately modulated
superstructure of tetragonal tungsten bronze KMnCrF6
Christina DRATHEN (Grenoble/FR)
Spinophilin restricts Neurexin signaling to protect from excessive
seeding of new active zones
Jan H. Driller, Karzan GH. Muhammad, Suneel Reddy, Ulises Rey
Mathias A. Böhme, Christina Hollmann, Niraja Ramesh, Harald Depner
Janine Lützkendorf, Tanja Matkovic, Dominique Bergeron
Christine Quentin, Jan Schmoranzer (Berlin/DE)
Fabian Goettfert (Göttingen/DE), Mathew Holt (Leuven/BE)
Markus C. Wahl (Berlin/DE), Stefan W. Hell (Göttingen/DE)
Alexander Walter, Bernhard Loll, Stephan J. Sigrist (Berlin/DE)
Crystallographic analysis of the ClpP1/2 heterocomplex from Listeria
monocytogenes
Marie-Theres Vielberg, Maria Dahmen, Stephan A. Sieber
Michael Groll (Garching/DE)
63
Index of Plenary Speakers, Presenting Authors and Chairs
A
Ait Haddouch, M.
Alekseev, E.
Amthauer, G.
Angel, R.
Assi, Z.
Auer, H.
B
Bacchi, A.
Baer, P.
Bauer, Je.
Bauer, Jo.
Baumann, U.
Bernert, T.
Berninger, U.
Birkenstock, J.
Bismayer, U.
Bohem, M. E.
Boldyreva, E.
Bommer, M.
Boris, Z.
Brüning, J.
Buhl, J.-C.
Burianek, M.
Burkhardt, A.
Busche, T.
C
Chavas, L.
Choe, H.
Chouaih, A.
Clemens, O.
56
51, 52
34, 40
36
31
39
33
35
55
39
35
49, 62
54
57
34, 36, 40, 53
50
58, 60
32, 44
60
46
30, 36, 47, 54
23, 48, 50
44, 45
47
24
40, 46
57
36
D
Dahms, S. O.
Dall’Antonia, F.
Datta, K.
Dendra, Y.
Dinnebier, R.
Dittrich, B.
Doert, T.
Domnik, L.
Đorđević, T.
Döring, C.
Drahten, C.
Driller, J. H.
Dshemuchadse, J.
28, 63
29
23, 39
26, 61
28
22, 33, 34, 37, 44, 46
48
27, 62
30, 36
51
28
28, 63
26
E
Eberle, M.
Eckold, P.
Eckold, G.
Eger Passos, D.
Einsle, O.
Eltschkner, S.
50
52
39, 46, 54, 55, 59, 62
54
39
37
64
Engelhardt, F.
Ertl, A.
Eschenburg, S.
Espes, E.
Etter, M.
F
Fabbiani, F.
Falenty, A.
Fechtelkord, M.
Fedorov, R.
Fesseler, J.
Ficner, R.
Fischer, M.
Foltin, M.
Franz, A.
Fregin, D.
Freisz, S.
Friedrich, A.
Friedrich, D.
G
Gaida, N. A.
Gainov, R.
Garg, A.
Gerger, S.
Geyer, A. H.
Gibhardt, H.
Goodwin, A.
Gorfman, S.
Götze, A.
Grabowsky, S.
Graetsch, H.
Graf, J.
Granero-García, R.
Grasmik, V.
Grzechnik, A.
Gunder, R.
Guo, Q.
Gurieva, G.
H
Haarmann, F.
Hagelueken, G.
Hansen, G.
Harm, S.
Härtwig, J.
He, M.
Heine, A.
Hendrickson, W.
Herbst-Irmer, R.
Hertrampf, J.
Hilgenfeld, R.
Hirsch, A.
Hoeffken, W.
33, 46
58
32
22
31
33, 37, 60
29, 31
40
32
32, 35, 62
30, 39, 41
36, 52, 54
51
51
54
43, 46
34, 40
53
28
34
44
27, 62
50
46, 54, 55, 62
32
40, 46
36
33
57
46
37, 60
55
37
52
52
52
34, 59
45
35
29
51
27, 62
24, 29, 38
26
33, 45, 46
47
32, 35
53
37
Hoffmann, K.
Hofmann, D. W. M.
Holstein, J.
Holynska, M.
Hübschle, C. B.
Huschmann, F.
Hützler, W.
I
Iversen, B.
J
Jain, R.
Jamiyansuren, B.
Jandl, C.
Jordan, G.
36
22, 37
60
51
34
24, 29, 38, 43
46
22, 32, 38
26, 61
27, 62
27, 62
54
K
Kaden, R.
Kahlenberg, V.
Kähn, J.
Kasaragod, V.
Kheireddine, A.
Kirchweger, P.
Kirsch, A.
Kleeberg, F. M.
Kochel, A.
Kodess, B.
Kohlmann, H.
Kölmel, W.
Korthaus, A.
Kratzert, D.
Krause, L.
Krausze, J.
Kuhle, B.
Kühnel, K.
Kuleshova, L.
Kupka, A.
56
30, 53, 60
58
45
56, 62
44
58
49
51
58
31, 36, 39
24
59
30
33, 45, 46
41
41
24
37
22
L
Lakomek, K.
Lamberts, K.
Lebernegg, S.
Ledderboge, F.
Lefeld, N.
Lehmann, C.
Leist, J.
Leoni, M.
Liebeck, B.
Lottermoser, W.
Luebben, J.
Luger, P.
35
26, 61
23
49
59
22
39, 46, 54, 62
29
43
53, 56
22, 33
33, 37
M
Maier, B.
Maier, S.
Marler, B.
Marquardt, J.
Mehner, E.
Merz, M.
Meutzner, F.
Meven, M.
Meyer, C.
Mielke, K.
Mihailova, B.
Miletich, R.
Mondal, S.
Morgenroth, W.
Müller, M.
Müller, C. J.
Murshed, M.
29
56
51, 59
54
35, 54, 61
59
27, 62
48
49
56
23, 34, 40
37, 60
23, 33
34, 37, 39, 40, 55, 60
24
36
36, 51, 52, 55, 58, 59
N
Nabil, B.
Neher, S.
Neldner, K.
Nemrava, S.
Nenert, G.
Nentwich, M.
Neudert, L.
Neumann, P.
Ney, C.
Niemann, H.
Niepötter, B.
Niesser, J.
Noohinejad, L.
46, 49
29
52
57, 58
23
40
50
30
49
35
45, 46
41
23
O
OrtatatliI, S.
Ott, H.
Ouhenia, S.
56
30, 46
57
P
Pandey, C. S.
Panneerselvam, S.
Pappert, K.
Park, S.
Paulmann, C.
Paun, M.
Pecher, O.
Peters, V.
Petersen, H.
Pippel, J.
Ponce-Salvatierra, A.
Popp, M.
Poppe, J.
Pöthig, A.
Premužić, D.
Pukallus, N.
23
43, 45
55
23
34, 53
47
26, 34
59
59
38
43
44
44
30, 62
55
54
65
R
Rademacher, N.
Rahman, M. S.
Rahmani, R.
Raiser, D.
Raven, W.
Redecke, L.
Reehuis, M.
Rettenwander, D.
Reuter, H.
Richter, T.
Ritscher, A.
Robben, L.
Rocha de Moura, T.
Rodriguez-Calvino, F.
Roedig, P.
Röhr, C.
Rudolph, D.
Ruhmlieb, C.
Ruiz-Fuertes, J.
Runcevski, T.
Rüscher, C.
37, 60
52, 59
57
41, 47
28, 63
24
54, 58
40
49, 50
59
47
48, 50, 59
42
41
45
49, 53
48
34, 44
34, 40, 62
31
53
S
Sadana, P.
Sanloup, C.
Saouane, S.
Scheidl, K.
Scherzer, M.
Schindelin, H.
Schindler, L.
Schleid, T.
Schlothauer, T.
Schmahl, W.
Schmid-Beurmann, P.
Schmidmair, D.
Schmidt, H.
Schneider, T.
Schönleber, A.
Schorr, S.
Schulz, A.
Schürmann, C.
Schustereit, T.
Schwalbe, C.
Schwarz, M.
Sehovic, M.
Sheldrick, G.
Shpenkov, G.
van Smaalen, S.
Sparta, K.
von Stetten, D.
Stalke, D.
Steuber, F.
Stöber, S.
Stöcker, H.
Stoiber, D.
44
38
60
60
55
31, 45
39
48, 49, 50, 51
60
29, 39
53, 57
30, 53
31
41, 44
56
23, 51, 52, 54, 56, 58
47
46
48
50
49, 53
48
26, 29
22
23, 31, 33, 34, 56
24, 29, 38, 43
25
33, 45, 46
26, 61
53, 54
27, 35, 54, 61
48
66
Storozhuk, D.
Stubbs, M. T.
T
Tambornino, F.
Teck, M.
Thekku Veedu, S.
Thelander, E.
Tittmann, K.
Többens, D.
Törber, P.
U
Ulrich, A.
Usón, I.
V
Valle Rios, L.
Vasylyeva, V.
Vielberg, M.-T.
W
Wandtke, C. M.
Wang, A.
Weidenweber, S.
Weiss, M.
Wiedemann, D.
Wiethoff, F.
Wilk, P.
Witzgall, F.
Wolle, P.
Wörmann, C.
41, 47
35
53
45, 50
22, 41
26, 61
30
52, 56, 58
47
41
29
52
41
28, 63
22
26, 61
43
24, 29, 38, 43, 44
48
27, 62
24, 43, 44
43
45
43
X
Xiao, B.
51
Y
Yavuz, M.
58
Z
Zaraq, A.
Zeibig, D.
Zhao, P.
Ziegler, F.
Zietlow, P.
Zimmermann, D.
Zimmermann, V.
Zobel, M.
27
26, 61
51
27, 55, 62
34
48
52
28
24th
D
G
K
ANNUAL MEETING
of the German Crystallographic
Society (DGK)
14–17 March 2016
STUTTGART
Topics
Crystallography throughout the sciences
in theory and practice
Advances in crystal chemistry
100 years after Debye-Scherrer:
Modern powder diffraction
Liquid crystals and their applications
Conference Chairs
Prof. Dr. Robert E. Dinnebier
Max Planck Institute for Solid State Research
Heisenbergstraße 1 70569 Stuttgart
Prof. Dr. Thomas Schleid
Institute for Inorganic Chemistry University Stuttgart
Pfaffenwaldring 55 70569 Stuttgart
© Quelle: Universität Stuttgart
© Carmen Müller (MPI-FKF)/Stuttgarter Luftbild Elsäßer GmbH

16–19 March 2015

Transcription

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