FILEID collect Tue Sep 28 1 4.00 08/09/05 16:51:42 2005src1012 SITEID Southampton TITLE /home/diska/2005src1012 CHEM C22H18N4TiCl2 CELL 11.5255 14.0330 14.1939 90.0000 113.6154 90.0000 2103.432 CELLSD 0.0006 0.0007 0.0005 0.0000 0.0025 0.0000 0.173 ORT1 8.7132630e-02 2.7417885e-02 2.3497000e-02 ORT2 -3.7019785e-02 6.3926179e-02 -2.6253362e-02 ORT3 -1.4835681e-03 1.5138534e-02 6.8305126e-02 SOURCE MO 0.71073 0.70930 0.71359 2.00000 0.00 0.00 LIMITS -45.00 60.00 -210.00 210.00 -360.00 360.00 -100.00 100.00 -360.00 360.00 MORPH Blade DNSMET ? CCOLOR Black CSIZE 0.34 x 0.04 x 0.01 ADPAR 312.5000 288.0000 3.000000000512 ADCOR -1.3821 -0.1972 0.0000 -0.5819 0.1322 -0.2399 BRAVAIS Monoclinic(b-unique) P