++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + XS - CRYSTAL STRUCTURE SOLUTION - SHELXTL Ver. 6.12 W95/98/NT/2000/ME + + Copyright(c) 2001 Bruker AXS All Rights Reserved + + 03srv164 started at 14:41:51 on 26-Jul-2006 + ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ TITL S164 IN P2(1)/N CELL 0.71073 6.9196 14.5749 9.7248 90.0 90.637 90.0 ZERR 4 0.0001 0.0002 0.0001 0.0 0.001 0.0 LATT 1 SYMM 0.500-X,0.500+Y,0.500-Z SFAC C H N F UNIT 40 40 16 8 V = 980.71 At vol = 15.3 F(000) = 464.0 mu = 0.12 mm-1 Max single Patterson vector = 27.8 cell wt = 896.88 rho = 1.519 SIZE 0.36 0.18 0.10 FVAR 0.36228 TREF HKLF 4