Subject: Would you please predict those crystal structures ?-)

From: Armel Le Bail <[email-masked]>
Date: Sat, 20 Jun 1998 12:13:52 +0200

Hi,

A challenge for you. 10 days are remaining for the ab initio crystal
structure determination of the 2 samples below before the SDPD
Round Robin deadline :

  http://fluo.univ-lemans.fr:8001/SDPDRR/

              Sample 1

              [Co(NH3)5CO3]NO3.H2O  (guessing the shape of
                                           structure fragments is possible)
                  Crystal system: monoclinic  
                  Cell : a = 7.673A, b = 9.628 A, c = 7.077 A,
                  beta = 106.28°  
                  Space groups : P21/m or P21  

              Sample 2

              C22H24N2O8.HCl  (the molecular formula can be found
                                                 easily)
                  Crystal system: orthorhombic  
                  Cell : a = 10.981 A, b = 12.853 A, c = 15.733 A,  
                  Space group : P212121  

Best wishes,

Armel Le Bail - Universite du Maine, Laboratoire des Fluorures,
CNRS ESA 6010, Av. O. Messiaen, 72085 Le Mans cedex 9, France
http://fluo.univ-lemans.fr:8001/
http://www.cybercable.tm.fr/~cristal/welcome.html