FILEID collect Tue Sep 28 1 4.00 11/08/05 16:39:54 2005src1384 SITEID Southampton TITLE /home/diska/2005src1384 CHEM C44H36Br4NiP2Fe2 CELL 12.3194 10.9269 15.3899 90.0000 94.9584 90.0000 2063.926 CELLSD 0.0004 0.0003 0.0005 0.0000 0.0016 0.0000 0.111 ORT1 7.7684705e-02 4.8789554e-03 -1.2924421e-02 ORT2 -2.2157850e-02 4.5126145e-02 -5.5058215e-02 ORT3 7.8386876e-03 7.9206870e-02 3.2164167e-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 Green CSIZE 0.30 x 0.04 x 0.01 ADPAR 312.5000 288.0000 3.000000000512 ADCOR -1.3805 -0.2000 0.0000 -0.5716 0.1317 -0.2054 BRAVAIS Monoclinic(b-unique) P