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请教两个A类问题（已解决）
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Alert level A CHEMW03_ALERT_2_A ALERT: The ratio of given/expected molecular weight as calculated from the _atom_site* data lies outside the range 0.90 <> 1.10 From the CIF: _cell_formula_units_Z 7 From the CIF: _chemical_formula_weight 538.40 TEST: Calculate formula weight from _atom_site_* atom mass num sum C 12.01 34.29 411.81 H 1.01 22.86 23.04 O 16.00 6.86 109.71 P 30.97 2.29 70.80 Calculated formula weight 615.35 PLAT043_ALERT_1_A Check Reported Molecular Weight ................ 538.40 [ Last edited by 踏雪无痕156 on 2009-8-21 at 16:02 ] |
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