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心態(tài)-耐心-忍新蟲 (初入文壇)
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[求助]
check cif 出現(xiàn)的錯誤
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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 8 From the CIF: _chemical_formula_weight 324.81 TEST: Calculate formula weight from _atom_site_* atom mass num sum C 12.01 15.00 180.16 H 1.01 15.00 15.12 N 14.01 5.00 70.04 O 16.00 4.00 64.00 S 32.07 1.00 32.07 Cd 112.41 0.50 56.21 Calculated formula weight 417.59 這要怎么修改呢?拜托哪位大神給指點(diǎn)一下,謝謝! |
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