Dr Jacco van de Streek
Senior Scientist
Avant-garde Materials Simulation
Freiburg im Breisgau, Germany
ow 110, and its formula is C22 H6 Cl8 N4 O2. Space group P-1, Z'=1/2.
Best wishes,
--
Dr Jacco van de Streek
Senior Scientist
Avant-garde Materials Simulation
Freiburg im Breisgau, Germany
ough) and has been incorporated in
the Cambridge Structural Database.
Refcodes NAOXAL, NAOXAL01 and NAOXAL02 are sodium oxalate
Refcode NAOXAM is sodium oxalate monohydrate.
Best wishes,
--
Jacco van de Streek (mailto:[EMAIL PROTECTED])
Dept. of Solid State Chemistry
University of Nijmegen
The Netherlands
se
and similar crystal structures before the final release, please contact
mailto:[EMAIL PROTECTED]
Best wishes,
--
Jacco van de Streek
Research Scientist
Cambridge Crystallographic Data Centre
Cambridge, United Kingdom
Whitfield, Pamela wrote:
The problem also occurred in a program that would take fractional
coordinates, so that's not the only snag.
I suggested another one:
From: Jacco van de Streek
- The matrices representing the space-group operators are no longer
diagonal, and the distinction between R*
[EMAIL PROTECTED] wrote:
can anyone of you know something about this issue?
Thank you for your help.
Dear Stephen,
tables with values for covalent and vdW radii for organic and
organometallic compounds can be found at:
http://www.ccdc.cam.ac.uk/products/csd/radii/
Best wishes,
--
Jacco van de
h the neon atoms in it...)
Best wishes,
--
Jacco van de Streek
Research Scientist
Cambridge Crystallographic Data Centre
Cambridge, United Kingdom
k at your data (with DASH) if you'd like.
Best wishes,
--
Dr Jacco van de Streek
Research Scientist
Cambridge Crystallographic Data Centre
Cambridge, United Kingdom
ury, Mercury 1.5, due to be released in
a couple of weeks, will also able to write out
structure factors, and it will also have the option to
include CuKa2.
Kind regards,
--
Dr Jacco van de Streek
Send instant messages to your online friends http://uk.messenger.yahoo.com
t, then the rest of the argument is the same as
for Example 2.
This shows that it is very important to always keep
track of the (rescaled) original ESDs during
background subtraction etc.
I hope this made some sense.
al structure
detereminations should *also* show the powder pattern
of the sample the crystal was taken from, to prove (or
disprove!) phase purity.
Best wishes,
--
Dr Jacco van de Streek,
Frankfurt University,
Frankfurt am M
Dear Magnus,
have you tried writing Ton Spek directly? I don't think he reads this list.
Best wishes,
--
Dr Jacco van de Streek
Scientist
Avant-garde Materials Simulation
Freiburg im Breisgau, Germany
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