24小时热门版块排行榜

返回列表

mojing123

新虫 (小有名气)

应助: 0 (幼儿园)
金币: 244.1
红花: 1
帖子: 82
在线: 31小时
虫号: 3087660
注册: 2014-03-25
性别: MM
专业: 热力学

[求助] 几个A类错误已有1人参与

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                   2
         From the CIF: _chemical_formula_weight          358.41
         TEST: Calculate formula weight from _atom_site_*
         atom    mass num    sum
         C       12.01 10.00  120.11
         H       1.01 32.00 32.26
         Cd    112.41 2.00  224.82
         Cl    35.45 8.00  283.62
         N       14.01 4.00 56.03
         Calculated formula weight             716.84
DENSD01_ALERT_1_A  The ratio of the submitted crystal density and that
         calculated from the formula is outside the range 0.90 <> 1.10
         Crystal density given =    1.791
         Calculated crystal density =    0.896
PLAT043_ALERT_1_A Calculated and Reported Mol. Weight Differ by ..    179.20 Check
PLAT046_ALERT_1_A Reported Z, MW and D(calc) are Inconsistent ....    0.895
PLAT051_ALERT_1_A Mu(calc) and Mu(CIF) Ratio Differs from 1.0 by .    99.80 %
PLAT064_ALERT_1_A Reported T(min) is Greater than Reported T(max) .       !

回复此楼