National NWO-CW/UU Single Crystal Service Facility

Faculty of Science
Bijvoet Center for Biomolecular Research
Crystal and Structural Chemistry
Utrecht University, Padualaan 8, 3584 CH Utrecht, The Netherlands
Phone: (+31) 30 2533902, Fax: (+31) 30 2533940
E-mail:m.lutz@uu.nl





Staff of the National Single Crystal Service Facility

Dr M(artin). Lutz -- (photo-256kB)

Prof Dr A.L. Spek (Emeritus 1-10-2009) -- (photo)

Vacancies

Service Crystallographer

Former Co-Workers /Postdocs

Dr. B(iserka) Kojic-Prodic (Returned to Croatia)
Drs. A(uke) Meetsma (Returned to University of Groningen)
Drs. W(ilberth).J.J. Smeets (Out-of-Science)
Drs. N(ora) Veldman (Deceased)
Dr. E(rnst) Horn (Currently Japan)
Dr. M(iles) Lakin (Currently France)
Dr. S(tephan) Menzer (Moved to the U.K. / Stoe Company)
Dr D(ianna).D. Ellis (Crossley) (Returned to the U.K.)
Dr A(llison).M. Mills -- (photo-256kB) (Currently Germany, Dresden)
Dr. D(uncan).M. Tooke -- (photo) (Currently U.K., Oxford)
Dr H(uub). Kooijman -- (photo) (Currently Shell, Amsterdam, E-mail: huub.kooijman@shell.com).
Dr. L. von Chrzanowski
Dr. M(axime) A.M. Siegler. Moved to John Hopkins, Baltimore, USA.


Facilities

Diffractometers

- KappaCCD on Rotating Anode (FR591/MoKa) + Oxford Cryostream LNT

Computers

- 3GHz-XEON (LINUX) workstations

Anonymous FTP

xraysoft.chem.uu.nl.


Single Crystal Structure Determination Service

Academic Users

Crystal Structures are determined at a fee of 135 Euro for academic users in the Netherlands.

Each submission should be accompanied by an application form (pdf) giving information about the crystals and the purpose of the crystal structure determination.

Non-academic Users

Non-academic users are charged

Please contact Prof. Dr. A.L. Spek (phone: 030-2532538, fax: 030-2533940 or E-mail) for further information.


PowerPoint Presentations of lectures of A.L.S. at various meetings.


Education

- Course 'Interpretation of Crystal Structure Determinations'. Information on this course is available here and a registration form for the 2009 course is available here (3-Feb. and 4-Feb.).

- Course 'Crystal Structure Determination using SYSTEM-S'. Information on this course is available here and a registration form for the 2009 course is available here (5-Feb.).

- A pdf version of the 2005 course notes (4.5 Mbyte) can be found here (Interpretation of Crystal Structure Determinations).


Distributed Software Developed or Implemented in the Context of this Facility.

PLATON A Multipurpose Crystallographics Tool, including:
PLUTON - Molecular Graphics (Ball & Sticks),
SQUEEZE - Handling the Contribution of Disordered Solvent,
ADDSYM - Search for Missed Symmetry,
ASYM - Data Averaging and Analysis.,
LEPAGE - Search for Higher Metrical Symmetry,
STRUCTURE TIDY - Parthe & Gelato Standard Form for Inorganic Structures,
VALIDATION - Structure Validation,
S - Automated Structure Determination Shell

PLATON may be obtained via Download Page or anonymous ftp.

EUHEDRAL - Program for the Refinement of the Crystal Shape (M.Lutz)

3D Fourier and VOID display (D.M.Tooke)


Manuals

SHELXL97-Manual

Other Program manuals may be found here


Publications

Publications of the National NWO-CW/UU Facility

Hooft y parameter: Journal of Applied Crystallography, 2008, Volume 41, pages 96-103
See also Rob Hooft's Website on Absolute Structure.


Single Crystal Structure Validation

Powerpoint Presentation Validation and Checking of Crystal Structures by A.J. Blake and A. Linden

Paper on PLATON Structure Validation (Thomson-ISI: Hot Paper in Chemistry and interview)

Paper: Structure Validation in Chemical Crystallography


This Might Interest (Real) Crystallographers

TWINNING, All you always wanted to know about ...

Crystal Growing, A collection of Tips and Pointers.

DIRAX, When you have indexing problems ..

Tricks of the Trade-ACA2007 Talks

Linux and Crystallographic Computing
Linux Applications in Crystallography
CCP14-LINUX-Link

Interesting UK-based Forum

The 10 Most-Cited Chemists (Thomson) and (THE)

Many Crystallographers are Highly-Cited Chemists


Author Statistics in the CSD

Authors with 100+ Published Structures and Full Author List (CSD-Oct-1998)

Authors with 100+ Published Structures and Full Author List (CSD-Oct-1999)

Authors with 100+ Published Structures and Full Author List (CSD-Oct-2000)

Authors with 100+ Published Structures and Full Author List (CSD-Oct-2001)

Authors with 100+ Published Structures and Full Author List (CSD-Dec-2002)

Authors with 100+ Published Structures and Full Author List (CSD-Dec-2003)

Authors with 100+ Published Structures and Full Author List (CSD-Dec-2004)

Authors with 250+ Published Structures and Full Author List (CSD-Jan-2006)


PLATON/ADDSYM-CSD Example run

PLATON/ADDSYM analysis of all 1970 Cc structures in the CSD (apr 1999).


Pointers to Selected World Wide Web Sites

IUCr-Computing Commission
International Union of Crystallography
I.C.S.D. WWW Site (CAOS/CAMM-Nijmegen-account required)
CAMM WWW Site (CAOS/CAMM-Nijmegen-account required)
European Crystallographic Association
American Crystallographic Association
British Crystallographic Association
ACA Small Molecule SIG
ACA Service Crystallography SIG
American Chemical Society
Nederlandse Vereniging voor Kristallografie
Cambridge Crystallographic Data Center
PLATON for MS-Windows - Home Page (Dr L.J. Farrugia, Glasgow)
Home of DIRDIF and CRUNCH
SinCris Crystallographic Software Database
CCP14-Collaborative Computational Project
The SHELX Homepage
The DRAWxtl Homepage (drawing polyhedra)
ps2pdf
Video taped lectures 'Physics for future Presidents' by R.A. Muller, Berkeley
UU-Library/Chemistry (local)
WEBofScience (local)
IUCr-World Directory


Vendors

Rigaku MSC

Oxford Diffraction

Bruker-Nonius/AXS

Stoe

Oxford Cryosystems


On-Line IUCR-Journals

Acta Crystallographica Section A

Acta Crystallographica Section B

Acta Crystallographica Section C

Acta Crystallographica Section D

Acta Crystallographica Section E

Journal of Applied Crystallography

Journal of Synchrotron Radiation

CHECKCIF-Non IUCr Journals
CHECKCIF
PRINTCIF
C-submit
E-submit


Data for some Crystal Structures

Li2SiO3, Na2SiO3


Crystallographic Software Fayre (ECM25)

Information about the Crystallographic Software Fayre (ECM25),


Department of Crystal and Structural Chemistry
Last change 29-Sep-2009. e-mail to Ton Spek