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[求助]
消除B類錯(cuò)誤,謝謝! 已有2人參與
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| 求助萬(wàn)能的小木蟲(chóng),有幾個(gè)晶體都有B類錯(cuò)誤,請(qǐng)高手來(lái)幫忙,非常感謝! |
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Bond precision: C-C = 0.0056 A Wavelength=0.71075 Cell: a=14.7238(17) b=15.744(3) c=16.633(3) alpha=84.260(1) beta=63.945(7) gamma=78.768(10) Temperature: 113 K Calculated Reported Volume 3397.1(10) 3397.1(10) Space group P -1 P-1 Hall group -P 1 ? Moiety formula C98 H140 Cl4 Er4 Li2 N14 O2 Si4 ? Sum formula C98 H140 Cl4 Er4 Li2 N14 O2 Si4 C98 H140 Cl4 Er4 Li2 N14 O2 Si4 Mr 2483.33 2483.32 Dx,g cm-3 1.214 1.214 Z 1 1 Mu (mm-1) 2.600 2.600 F000 1244.0 1244.0 F000' 1244.18 h,k,lmax 19,20,21 19,20,21 Nref 16206 16125 Tmin,Tmax 0.514,0.626 0.551,0.652 Tmin' 0.504 Correction method= # Reported T Limits: Tmin=0.551 Tmax=0.652 AbsCorr = MULTI-SCAN Data completeness= 0.995 Theta(max)= 27.880 R(reflections)= 0.0373( 13851) wR2(reflections)= 0.0888( 16125) S = 1.022 Npar= 593 The following ALERTS were generated. Each ALERT has the format test-name_ALERT_alert-type_alert-level. Click on the hyperlinks for more details of the test. Alert level C PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) Range 3.2 Ratio PLAT242_ALERT_2_C Low Ueq as Compared to Neighbors for ..... C10 Check |
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