FILEID collect Tue Sep 28 1 4.00 07/29/05 09:51:27 2005slh0424 SITEID Southampton TITLE /home/diska/2005slh0424 CHEM C34H32N6O4P2S4Ni1I2 CELL 25.0178 8.8338 16.5583 90.0000 97.2638 90.0000 3630.053 CELLSD 0.0010 0.0002 0.0006 0.0000 0.0016 0.0000 0.213 ORT1 3.8932131e-02 -7.5566103e-03 -7.4107312e-03 ORT2 9.8200434e-03 -2.5048688e-03 6.0329092e-02 ORT3 -2.8248358e-03 -1.1285369e-01 -8.4282852e-04 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 Lath DNSMET ? CCOLOR Orange CSIZE 0.2 x 0.06 x 0.02 ADPAR 312.5000 288.0000 3.080000000512 ADCOR -1.3821 -0.1972 0.0000 -0.5819 0.1322 -0.2399 BRAVAIS Monoclinic(b-unique) C