FILEID collect Fri Jul 18 1 4.00 05/06/04 09:06:47 04src0333 SITEID Southampton TITLE /diska/04src0333 CHEM C72 H66 N36 O32 Cl8 Fe4 CELL 14.6685 19.6282 25.4611 90.0185 93.8819 90.0535 7313.814 CELLSD 0.0019 0.0028 0.0030 0.0095 0.0103 0.0111 1.495 ORT1 6.1021600e-02 1.2542000e-02 -1.2432600e-02 ORT2 -1.5493000e-03 -4.1406800e-02 -2.2937600e-02 ORT3 -3.0708100e-02 2.6903300e-02 -2.9478400e-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 Block DNSMET ? CCOLOR Dark Brown CSIZE 0.28 x 0.12 x 0.08 ADPAR 312.5000 288.0000 5.000000000512 ADCOR 1.2349 1.0610 0.0000 -0.3416 -0.2381 0.0980 BRAVAIS Monoclinic(b-unique) P