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qxl6236534新蟲 (初入文壇)
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[求助]
請(qǐng)教,CIF A,B類錯(cuò)誤糾錯(cuò)。! 已有2人參與
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請(qǐng)教,CIF A,B類錯(cuò)誤糾錯(cuò)。! Alert level A PLAT723_ALERT_1_A Torsion Calc 179(8), Rep 18.00 Dev... 161.00 Sigma PB3 -PB4 -O4 -C8 6.765 1.555 1.555 1.555 46 Alert level B PLAT093_ALERT_1_B No su’s on H-atoms, but refinement reported as . mixed PLAT234_ALERT_4_B Large Hirshfeld Difference Pb4 -- O7 .. 0.26 Ang. PLAT241_ALERT_2_B Check High Ueq as Compared to Neighbors for O7 PLAT241_ALERT_2_B Check High Ueq as Compared to Neighbors for O8 PLAT342_ALERT_3_B Low Bond Precision on C-C Bonds ............... 0.0789 Ang |
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