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SYMMG02_ALERT_1_A The _symmetry_equiv_pos_as_xyz values are inconsistent with the H-M symbol given From the CIF: _symmetry_equiv_pos_as_xyz x, y, z -x, y+1/2, -z+1/2 -x, -y, -z x, -y-1/2, z-1/2 These symops generate the Hall space group symbol -p_2ybc From the CIF: _symmetry_space_group_name_H-M pc From the xyz: _symmetry_space_group_name_H-M p_1_21/c_1 ALERT 4 symops in cif, 2 symops generated PLAT029_ALERT_3_A _diffrn_measured_fraction_theta_full Low ....... 0.923 PLAT306_ALERT_2_A Isolated Oxygen Atom (H-atoms Missing ?) ....... O4 PLAT316_ALERT_2_A Too many H on C in C=N Moiety in Main Residue .. C10 |
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